data_GGD
# 
_chem_comp.id                                    GGD 
_chem_comp.name                                  "NONADEC-10-ENOIC ACID 2-[3,4-DIHYDROXY-6-HYDROXYMETHYL-5-(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-2-YLOXY)-TETRAHYDRO-PYRAN-2-YLOXY]-1-OCTADEC-9-ENOYLOXYMETHYL-ETHYL ESTER" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C52 H94 O15" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         "GLUCOSYL-GALACTOSYL DIACYL-GLYCEROL" 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2002-07-25 
_chem_comp.pdbx_modified_date                    2008-10-14 
_chem_comp.pdbx_ambiguous_flag                   N 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.pdbx_replaced_by                      ? 
_chem_comp.pdbx_replaces                         ? 
_chem_comp.formula_weight                        959.294 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     GGD 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   Y 
_chem_comp.pdbx_ideal_coordinates_details        ? 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        1M3X 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  RCSB 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.alt_atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.charge 
_chem_comp_atom.pdbx_align 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_leaving_atom_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.model_Cartn_x 
_chem_comp_atom.model_Cartn_y 
_chem_comp_atom.model_Cartn_z 
_chem_comp_atom.pdbx_model_Cartn_x_ideal 
_chem_comp_atom.pdbx_model_Cartn_y_ideal 
_chem_comp_atom.pdbx_model_Cartn_z_ideal 
_chem_comp_atom.pdbx_component_atom_id 
_chem_comp_atom.pdbx_component_comp_id 
_chem_comp_atom.pdbx_ordinal 
GGD CA1  CA1  C 0 1 N N R 20.634 91.211 18.860 -7.268  7.359  -6.038  CA1  GGD 1   
GGD CA2  CA2  C 0 1 N N R 20.240 92.228 19.945 -8.069  8.554  -5.514  CA2  GGD 2   
GGD CA3  CA3  C 0 1 N N S 20.766 93.504 19.248 -8.954  9.137  -6.615  CA3  GGD 3   
GGD CA4  CA4  C 0 1 N N S 22.292 93.499 19.174 -8.147  9.402  -7.886  CA4  GGD 4   
GGD CA5  CA5  C 0 1 N N R 22.930 92.118 18.675 -7.387  8.134  -8.292  CA5  GGD 5   
GGD CA6  CA6  C 0 1 N N N 24.246 91.682 19.300 -6.499  8.339  -9.513  CA6  GGD 6   
GGD OA1  OA1  O 0 1 N N N 19.918 90.067 19.012 -6.372  6.898  -5.038  OA1  GGD 7   
GGD OA2  OA2  O 0 1 N N N 18.801 92.223 20.071 -8.890  8.108  -4.435  OA2  GGD 8   
GGD OA4  OA4  O 0 1 N N N 22.746 93.876 20.466 -7.226  10.463 -7.627  OA4  GGD 9   
GGD OA5  OA5  O 0 1 N N N 22.074 90.948 18.879 -6.542  7.708  -7.215  OA5  GGD 10  
GGD OA6  OA6  O 0 1 N N N 25.327 92.169 18.567 -5.835  7.121  -9.799  OA6  GGD 11  
GGD OB6  OB6  O 0 1 N N N 17.296 99.517 22.209 -10.862 11.314 -10.681 OB6  GGD 12  
GGD CB1  CB1  C 0 1 N N S 19.165 95.176 20.954 -10.836 10.540 -6.719  CB1  GGD 13  
GGD CB2  CB2  C 0 1 N N R 19.596 94.994 22.343 -11.683 11.316 -5.710  CB2  GGD 14  
GGD CB3  CB3  C 0 1 N N S 18.713 95.793 23.297 -13.038 11.704 -6.302  CB3  GGD 15  
GGD CB4  CB4  C 0 1 N N S 18.699 97.262 23.111 -12.876 12.342 -7.682  CB4  GGD 16  
GGD CB5  CB5  C 0 1 N N R 18.160 97.473 21.634 -11.976 11.483 -8.575  CB5  GGD 17  
GGD CB6  CB6  C 0 1 N N N 18.149 99.009 21.448 -11.705 12.157 -9.917  CB6  GGD 18  
GGD OB1  OB1  O 0 1 N N N 20.082 94.401 20.232 -9.551  10.343 -6.148  OB1  GGD 19  
GGD OB2  OB2  O 0 1 N N N 19.562 93.483 22.582 -11.890 10.518 -4.545  OB2  GGD 20  
GGD OB3  OB3  O 0 1 N N N 19.158 95.605 24.571 -13.690 12.626 -5.428  OB3  GGD 21  
GGD OB4  OB4  O 0 1 N N N 17.774 97.944 24.147 -14.157 12.475 -8.292  OB4  GGD 22  
GGD OB5  OB5  O 0 1 N N N 19.202 96.685 20.733 -10.716 11.271 -7.937  OB5  GGD 23  
GGD CC3  CC3  C 0 1 N N N 18.960 90.229 17.766 -5.611  5.785  -5.495  CC3  GGD 24  
GGD CC4  CC4  C 0 1 N N N 18.497 90.999 16.563 -4.629  5.350  -4.412  CC4  GGD 25  
GGD OC6  OC6  O 0 1 N N N 18.548 90.575 15.489 -5.366  5.011  -3.234  OC6  GGD 26  
GGD CC5  CC5  C 0 1 N N N 18.958 89.349 14.753 -6.268  3.999  -3.377  CC5  GGD 27  
GGD OC7  OC7  O 0 1 N N N 19.736 88.525 15.389 -6.178  3.057  -4.155  OC7  GGD 28  
GGD CC6  CC6  C 0 1 N N N 18.010 92.280 16.945 -3.661  6.470  -4.056  CC6  GGD 29  
GGD OC8  OC8  O 0 1 N N N 16.597 92.548 16.943 -2.790  6.018  -3.025  OC8  GGD 30  
GGD CC7  CC7  C 0 1 N N N 15.827 93.619 17.238 -1.858  6.920  -2.595  CC7  GGD 31  
GGD OC9  OC9  O 0 1 N N N 16.282 94.734 17.290 -1.713  8.060  -3.014  OC9  GGD 32  
GGD C14  C14  C 0 1 N N N 18.422 89.104 13.406 -7.415  4.186  -2.413  C14  GGD 33  
GGD C15  C15  C 0 1 N N N 18.448 88.016 12.204 -8.427  3.048  -2.517  C15  GGD 34  
GGD C16  C16  C 0 1 N N N 17.449 88.099 11.008 -9.586  3.215  -1.532  C16  GGD 35  
GGD C17  C17  C 0 1 N N N 17.588 86.853 10.079 -10.569 2.046  -1.621  C17  GGD 36  
GGD C18  C18  C 0 1 N N N 16.589 86.872 8.891  -11.738 2.236  -0.654  C18  GGD 37  
GGD C19  C19  C 0 1 N N N 16.698 85.505 8.067  -12.738 1.081  -0.755  C19  GGD 38  
GGD C20  C20  C 0 1 N N N 16.602 85.626 6.609  -13.912 1.220  0.221   C20  GGD 39  
GGD C21  C21  C 0 1 N N N 16.630 84.277 5.806  -14.985 0.133  0.093   C21  GGD 40  
GGD C22  C22  C 0 1 N N N 16.717 82.929 6.443  -15.582 0.052  -1.283  C22  GGD 41  
GGD C23  C23  C 0 1 N N N 16.122 82.548 5.181  -15.670 -1.030 -2.071  C23  GGD 42  
GGD C24  C24  C 0 1 N N N 16.331 81.288 4.887  -16.269 -1.101 -3.446  C24  GGD 43  
GGD C31  C31  C 0 1 N N N 14.251 93.613 17.558 -1.004  6.311  -1.509  C31  GGD 44  
GGD C32  C32  C 0 1 N N N 13.062 92.703 17.683 0.025   7.298  -0.965  C32  GGD 45  
GGD C33  C33  C 0 1 N N N 12.619 92.029 16.359 0.936   6.663  0.091   C33  GGD 46  
GGD C34  C34  C 0 1 N N N 12.838 90.563 16.108 1.976   7.635  0.658   C34  GGD 47  
GGD C35  C35  C 0 1 N N N 12.903 90.466 14.572 2.878   7.071  1.761   C35  GGD 48  
GGD C36  C36  C 0 1 N N N 13.124 88.953 14.384 3.861   8.101  2.327   C36  GGD 49  
GGD C37  C37  C 0 1 N N N 13.256 88.375 12.985 4.764   7.532  3.427   C37  GGD 50  
GGD C38  C38  C 0 1 N N N 12.437 87.178 12.574 3.995   6.941  4.575   C38  GGD 51  
GGD C39  C39  C 0 1 N N N 12.846 86.909 11.147 4.055   5.647  4.922   C39  GGD 52  
GGD C40  C40  C 0 1 N N N 11.897 86.360 10.114 3.304   5.059  6.082   C40  GGD 53  
GGD C41  C41  C 0 1 N N N 12.583 86.199 8.761  2.356   3.922  5.682   C41  GGD 54  
GGD C42  C42  C 0 1 N N N 11.986 85.036 7.965  1.267   4.359  4.695   C42  GGD 55  
GGD C43  C43  C 0 1 N N N 11.063 85.456 6.791  0.369   3.183  4.304   C43  GGD 56  
GGD C44  C44  C 0 1 N N N 11.130 84.594 5.519  -0.683  3.542  3.250   C44  GGD 57  
GGD C25  C25  C 0 1 N N N ?      ?      ?      -15.269 -1.635 -4.471  C25  GGD 58  
GGD C26  C26  C 0 1 N N N ?      ?      ?      -14.044 -0.733 -4.657  C26  GGD 59  
GGD C27  C27  C 0 1 N N N ?      ?      ?      -14.319 0.677  -5.191  C27  GGD 60  
GGD C28  C28  C 0 1 N N N ?      ?      ?      -13.051 1.500  -5.431  C28  GGD 61  
GGD C29  C29  C 0 1 N N N ?      ?      ?      -13.385 2.862  -6.044  C29  GGD 62  
GGD C30  C30  C 0 1 N N N ?      ?      ?      -12.154 3.741  -6.274  C30  GGD 63  
GGD C48  C48  C 0 1 N N N ?      ?      ?      -12.487 5.103  -6.864  C48  GGD 64  
GGD C45  C45  C 0 1 N N N ?      ?      ?      -1.557  2.385  2.755   C45  GGD 65  
GGD C46  C46  C 0 1 N N N ?      ?      ?      -2.543  2.791  1.660   C46  GGD 66  
GGD C47  C47  C 0 1 N N N ?      ?      ?      -3.446  1.632  1.267   C47  GGD 67  
GGD HA11 1HA1 H 0 0 N N N 20.396 91.639 17.875 -7.930  6.515  -6.263  HA11 GGD 68  
GGD HA21 1HA2 H 0 0 N N N 20.622 92.075 20.965 -7.400  9.324  -5.111  HA21 GGD 69  
GGD HA31 1HA3 H 0 0 N N N 20.565 93.733 18.191 -9.773  8.439  -6.829  HA31 GGD 70  
GGD HA41 1HA4 H 0 0 N N N 22.627 94.208 18.402 -8.814  9.740  -8.687  HA41 GGD 71  
GGD HA51 1HA5 H 0 0 N N N 23.074 92.391 17.619 -8.099  7.330  -8.517  HA51 GGD 72  
GGD HA61 1HA6 H 0 0 N N N 24.303 92.074 20.326 -5.758  9.113  -9.311  HA61 GGD 73  
GGD HA62 2HA6 H 0 0 N N N 24.288 90.583 19.304 -7.106  8.628  -10.372 HA62 GGD 74  
GGD HO21 1HO2 H 0 0 N N N 18.563 92.222 20.991 -9.568  8.789  -4.307  HO21 GGD 75  
GGD HO41 1HO4 H 0 0 N N N 23.692 93.960 20.458 -7.351  11.112 -8.335  HO41 GGD 76  
GGD HO61 1HO6 H 0 0 N N N 25.070 92.280 17.659 -4.888  7.325  -9.878  HO61 GGD 77  
GGD HO6  HO6  H 0 1 N N N 17.676 99.646 23.070 -10.427 11.874 -11.347 HO6  GGD 78  
GGD HB11 1HB1 H 0 0 N N N 18.157 94.853 20.656 -11.264 9.549  -6.914  HB11 GGD 79  
GGD HB21 1HB2 H 0 0 N N N 20.609 95.379 22.531 -11.147 12.214 -5.378  HB21 GGD 80  
GGD HB31 1HB3 H 0 0 N N N 17.700 95.419 23.089 -13.698 10.830 -6.362  HB31 GGD 81  
GGD HB41 1HB4 H 0 0 N N N 19.693 97.710 23.257 -12.454 13.349 -7.575  HB41 GGD 82  
GGD HB51 1HB5 H 0 0 N N N 17.154 97.104 21.387 -12.448 10.513 -8.779  HB51 GGD 83  
GGD HB61 1HB6 H 0 0 N N N 17.898 99.250 20.404 -11.210 13.115 -9.759  HB61 GGD 84  
GGD HB62 2HB6 H 0 0 N N N 19.143 99.414 21.690 -12.642 12.311 -10.452 HB62 GGD 85  
GGD HO2  HO2  H 0 1 N N N 19.555 93.030 21.747 -12.385 9.736  -4.833  HO2  GGD 86  
GGD HO3  HO3  H 0 1 N N N 20.107 95.561 24.572 -14.642 12.490 -5.549  HO3  GGD 87  
GGD HO4  HO4  H 0 1 N N N 18.252 98.084 24.956 -14.047 12.225 -9.223  HO4  GGD 88  
GGD HC31 1HC3 H 0 0 N N N 19.249 89.306 17.242 -6.307  4.981  -5.753  HC31 GGD 89  
GGD HC32 2HC3 H 0 0 N N N 18.241 90.778 18.392 -5.084  6.101  -6.401  HC32 GGD 90  
GGD HC41 1HC4 H 0 0 N N N 18.418 90.839 15.478 -4.082  4.449  -4.713  HC41 GGD 91  
GGD HC61 1HC6 H 0 0 N N N 18.347 92.437 17.980 -4.194  7.351  -3.683  HC61 GGD 92  
GGD HC62 2HC6 H 0 0 N N N 18.399 92.947 16.162 -3.048  6.751  -4.918  HC62 GGD 93  
GGD H141 1H14 H 0 0 N N N 17.345 89.113 13.628 -7.890  5.142  -2.659  H141 GGD 94  
GGD H142 2H14 H 0 0 N N N 19.185 89.735 12.927 -7.038  4.278  -1.388  H142 GGD 95  
GGD H151 1H15 H 0 0 N N N 19.451 88.090 11.758 -8.824  3.024  -3.539  H151 GGD 96  
GGD H152 2H15 H 0 0 N N N 18.148 87.086 12.709 -7.930  2.086  -2.342  H152 GGD 97  
GGD H161 1H16 H 0 0 N N N 16.422 88.140 11.401 -10.111 4.156  -1.737  H161 GGD 98  
GGD H162 2H16 H 0 0 N N N 17.675 89.002 10.422 -9.198  3.277  -0.509  H162 GGD 99  
GGD H171 1H17 H 0 0 N N N 18.610 86.837 9.672  -10.044 1.112  -1.387  H171 GGD 100 
GGD H172 2H17 H 0 0 N N N 17.368 85.961 10.684 -10.950 1.957  -2.646  H172 GGD 101 
GGD H181 1H18 H 0 0 N N N 15.565 86.984 9.278  -12.247 3.182  -0.877  H181 GGD 102 
GGD H182 2H18 H 0 0 N N N 16.830 87.716 8.228  -11.351 2.318  0.366   H182 GGD 103 
GGD H191 1H19 H 0 0 N N N 17.678 85.061 8.296  -12.226 0.125  -0.599  H191 GGD 104 
GGD H192 2H19 H 0 0 N N N 15.835 84.897 8.376  -13.141 1.057  -1.775  H192 GGD 105 
GGD H201 1H20 H 0 0 N N N 15.647 86.124 6.383  -13.526 1.216  1.248   H201 GGD 106 
GGD H202 2H20 H 0 0 N N N 17.496 86.184 6.293  -14.376 2.203  0.070   H202 GGD 107 
GGD H211 1H21 H 0 0 N N N 15.685 84.263 5.243  -14.598 -0.833 0.429   H211 GGD 108 
GGD H212 2H21 H 0 0 N N N 17.604 84.343 5.299  -15.801 0.376  0.786   H212 GGD 109 
GGD H221 1H22 H 0 0 N N N 17.050 82.475 7.365  -16.023 0.975  -1.655  H221 GGD 110 
GGD H231 1H23 H 0 0 N N N 15.567 83.227 4.551  -15.288 -1.970 -1.677  H231 GGD 111 
GGD H241 1H24 H 0 0 N N N 16.436 81.444 3.803  -16.645 -0.121 -3.747  H241 GGD 112 
GGD H242 2H24 H 0 0 N N N 16.661 81.130 5.924  -17.147 -1.758 -3.405  H242 GGD 113 
GGD H311 1H31 H 0 0 N N N 14.268 94.033 18.575 -0.506  5.428  -1.925  H311 GGD 114 
GGD H312 2H31 H 0 0 N N N 13.990 93.894 16.527 -1.661  5.951  -0.708  H312 GGD 115 
GGD H321 1H32 H 0 0 N N N 13.323 91.906 18.394 -0.489  8.169  -0.545  H321 GGD 116 
GGD H322 2H32 H 0 0 N N N 12.221 93.330 18.012 0.641   7.658  -1.798  H322 GGD 117 
GGD H331 1H33 H 0 0 N N N 11.531 92.180 16.300 1.472   5.820  -0.363  H331 GGD 118 
GGD H332 2H33 H 0 0 N N N 13.275 92.503 15.614 0.339   6.242  0.907   H332 GGD 119 
GGD H341 1H34 H 0 0 N N N 13.769 90.209 16.574 2.606   7.989  -0.168  H341 GGD 120 
GGD H342 2H34 H 0 0 N N N 12.046 89.934 16.541 1.459   8.520  1.051   H342 GGD 121 
GGD H351 1H35 H 0 0 N N N 11.979 90.818 14.090 2.234   6.709  2.572   H351 GGD 122 
GGD H352 2H35 H 0 0 N N N 13.679 91.096 14.113 3.416   6.194  1.384   H352 GGD 123 
GGD H361 1H36 H 0 0 N N N 14.064 88.715 14.903 4.485   8.513  1.526   H361 GGD 124 
GGD H362 2H36 H 0 0 N N N 12.194 88.505 14.765 3.291   8.938  2.750   H362 GGD 125 
GGD H371 1H37 H 0 0 N N N 12.976 89.185 12.295 5.427   8.316  3.812   H371 GGD 126 
GGD H372 2H37 H 0 0 N N N 14.289 87.998 12.961 5.415   6.770  2.979   H372 GGD 127 
GGD H381 1H38 H 0 0 N N N 11.718 86.634 13.169 3.373   7.618  5.154   H381 GGD 128 
GGD H391 1H39 H 0 0 N N N 13.864 87.119 10.853 4.694   4.976  4.355   H391 GGD 129 
GGD H401 1H40 H 0 0 N N N 11.537 85.376 10.449 2.715   5.837  6.584   H401 GGD 130 
GGD H402 2H40 H 0 0 N N N 11.061 87.066 9.999  4.027   4.694  6.820   H402 GGD 131 
GGD H411 1H41 H 0 0 N N N 12.453 87.127 8.185  2.955   3.127  5.222   H411 GGD 132 
GGD H412 2H41 H 0 0 N N N 13.648 85.989 8.936  1.891   3.491  6.577   H412 GGD 133 
GGD H421 1H42 H 0 0 N N N 12.820 84.455 7.544  0.661   5.150  5.147   H421 GGD 134 
GGD H422 2H42 H 0 0 N N N 11.359 84.466 8.667  1.734   4.777  3.795   H422 GGD 135 
GGD H431 1H43 H 0 0 N N N 10.028 85.410 7.160  -0.118  2.773  5.196   H431 GGD 136 
GGD H432 2H43 H 0 0 N N N 11.409 86.455 6.488  0.992   2.376  3.898   H432 GGD 137 
GGD H441 1H44 H 0 0 N N N 10.341 85.009 4.875  -1.340  4.321  3.657   H441 GGD 138 
GGD H442 2H44 H 0 0 N N N 12.207 84.657 5.305  -0.171  3.991  2.390   H442 GGD 139 
GGD H251 1H25 H 0 0 N N N ?      ?      ?      -14.945 -2.644 -4.189  H251 GGD 140 
GGD H252 2H25 H 0 0 N N N ?      ?      ?      -15.766 -1.738 -5.445  H252 GGD 141 
GGD H261 1H26 H 0 0 N N N ?      ?      ?      -13.531 -0.650 -3.691  H261 GGD 142 
GGD H262 2H26 H 0 0 N N N ?      ?      ?      -13.340 -1.228 -5.337  H262 GGD 143 
GGD H271 1H27 H 0 0 N N N ?      ?      ?      -14.984 1.214  -4.505  H271 GGD 144 
GGD H272 2H27 H 0 0 N N N ?      ?      ?      -14.870 0.579  -6.136  H272 GGD 145 
GGD H281 1H28 H 0 0 N N N ?      ?      ?      -12.376 0.953  -6.100  H281 GGD 146 
GGD H282 2H28 H 0 0 N N N ?      ?      ?      -12.526 1.642  -4.483  H282 GGD 147 
GGD H291 1H29 H 0 0 N N N ?      ?      ?      -13.880 2.704  -7.010  H291 GGD 148 
GGD H292 2H29 H 0 0 N N N ?      ?      ?      -14.100 3.394  -5.406  H292 GGD 149 
GGD H301 1H30 H 0 0 N N N ?      ?      ?      -11.481 3.220  -6.965  H301 GGD 150 
GGD H302 2H30 H 0 0 N N N ?      ?      ?      -11.605 3.872  -5.334  H302 GGD 151 
GGD H481 1H48 H 0 0 N N N ?      ?      ?      -13.071 5.713  -6.170  H481 GGD 152 
GGD H482 2H48 H 0 0 N N N ?      ?      ?      -13.053 4.999  -7.795  H482 GGD 153 
GGD H483 3H48 H 0 0 N N N ?      ?      ?      -11.565 5.649  -7.089  H483 GGD 154 
GGD H451 1H45 H 0 0 N N N ?      ?      ?      -0.925  1.563  2.400   H451 GGD 155 
GGD H452 2H45 H 0 0 N N N ?      ?      ?      -2.116  1.992  3.613   H452 GGD 156 
GGD H461 1H46 H 0 0 N N N ?      ?      ?      -2.003  3.129  0.770   H461 GGD 157 
GGD H462 2H46 H 0 0 N N N ?      ?      ?      -3.161  3.628  2.006   H462 GGD 158 
GGD H471 1H47 H 0 0 N N N ?      ?      ?      -4.035  1.285  2.121   H471 GGD 159 
GGD H472 2H47 H 0 0 N N N ?      ?      ?      -4.139  1.943  0.479   H472 GGD 160 
GGD H473 3H47 H 0 0 N N N ?      ?      ?      -2.858  0.789  0.889   H473 GGD 161 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
GGD CA1 CA2  SING N N 1   
GGD CA1 OA1  SING N N 2   
GGD CA1 OA5  SING N N 3   
GGD CA1 HA11 SING N N 4   
GGD CA2 CA3  SING N N 5   
GGD CA2 OA2  SING N N 6   
GGD CA2 HA21 SING N N 7   
GGD CA3 CA4  SING N N 8   
GGD CA3 OB1  SING N N 9   
GGD CA3 HA31 SING N N 10  
GGD CA4 CA5  SING N N 11  
GGD CA4 OA4  SING N N 12  
GGD CA4 HA41 SING N N 13  
GGD CA5 CA6  SING N N 14  
GGD CA5 OA5  SING N N 15  
GGD CA5 HA51 SING N N 16  
GGD CA6 OA6  SING N N 17  
GGD CA6 HA61 SING N N 18  
GGD CA6 HA62 SING N N 19  
GGD OA1 CC3  SING N N 20  
GGD OA2 HO21 SING N N 21  
GGD OA4 HO41 SING N N 22  
GGD OA6 HO61 SING N N 23  
GGD OB6 CB6  SING N N 24  
GGD OB6 HO6  SING N N 25  
GGD CB1 CB2  SING N N 26  
GGD CB1 OB1  SING N N 27  
GGD CB1 OB5  SING N N 28  
GGD CB1 HB11 SING N N 29  
GGD CB2 CB3  SING N N 30  
GGD CB2 OB2  SING N N 31  
GGD CB2 HB21 SING N N 32  
GGD CB3 CB4  SING N N 33  
GGD CB3 OB3  SING N N 34  
GGD CB3 HB31 SING N N 35  
GGD CB4 CB5  SING N N 36  
GGD CB4 OB4  SING N N 37  
GGD CB4 HB41 SING N N 38  
GGD CB5 CB6  SING N N 39  
GGD CB5 OB5  SING N N 40  
GGD CB5 HB51 SING N N 41  
GGD CB6 HB61 SING N N 42  
GGD CB6 HB62 SING N N 43  
GGD OB2 HO2  SING N N 44  
GGD OB3 HO3  SING N N 45  
GGD OB4 HO4  SING N N 46  
GGD CC3 CC4  SING N N 47  
GGD CC3 HC31 SING N N 48  
GGD CC3 HC32 SING N N 49  
GGD CC4 OC6  SING N N 50  
GGD CC4 CC6  SING N N 51  
GGD CC4 HC41 SING N N 52  
GGD OC6 CC5  SING N N 53  
GGD CC5 OC7  DOUB N N 54  
GGD CC5 C14  SING N N 55  
GGD CC6 OC8  SING N N 56  
GGD CC6 HC61 SING N N 57  
GGD CC6 HC62 SING N N 58  
GGD OC8 CC7  SING N N 59  
GGD CC7 OC9  DOUB N N 60  
GGD CC7 C31  SING N N 61  
GGD C14 C15  SING N N 62  
GGD C14 H141 SING N N 63  
GGD C14 H142 SING N N 64  
GGD C15 C16  SING N N 65  
GGD C15 H151 SING N N 66  
GGD C15 H152 SING N N 67  
GGD C16 C17  SING N N 68  
GGD C16 H161 SING N N 69  
GGD C16 H162 SING N N 70  
GGD C17 C18  SING N N 71  
GGD C17 H171 SING N N 72  
GGD C17 H172 SING N N 73  
GGD C18 C19  SING N N 74  
GGD C18 H181 SING N N 75  
GGD C18 H182 SING N N 76  
GGD C19 C20  SING N N 77  
GGD C19 H191 SING N N 78  
GGD C19 H192 SING N N 79  
GGD C20 C21  SING N N 80  
GGD C20 H201 SING N N 81  
GGD C20 H202 SING N N 82  
GGD C21 C22  SING N N 83  
GGD C21 H211 SING N N 84  
GGD C21 H212 SING N N 85  
GGD C22 C23  DOUB N N 86  
GGD C22 H221 SING N N 87  
GGD C23 C24  SING N N 88  
GGD C23 H231 SING N N 89  
GGD C24 C25  SING N N 90  
GGD C24 H241 SING N N 91  
GGD C24 H242 SING N N 92  
GGD C31 C32  SING N N 93  
GGD C31 H311 SING N N 94  
GGD C31 H312 SING N N 95  
GGD C32 C33  SING N N 96  
GGD C32 H321 SING N N 97  
GGD C32 H322 SING N N 98  
GGD C33 C34  SING N N 99  
GGD C33 H331 SING N N 100 
GGD C33 H332 SING N N 101 
GGD C34 C35  SING N N 102 
GGD C34 H341 SING N N 103 
GGD C34 H342 SING N N 104 
GGD C35 C36  SING N N 105 
GGD C35 H351 SING N N 106 
GGD C35 H352 SING N N 107 
GGD C36 C37  SING N N 108 
GGD C36 H361 SING N N 109 
GGD C36 H362 SING N N 110 
GGD C37 C38  SING N N 111 
GGD C37 H371 SING N N 112 
GGD C37 H372 SING N N 113 
GGD C38 C39  DOUB N N 114 
GGD C38 H381 SING N N 115 
GGD C39 C40  SING N N 116 
GGD C39 H391 SING N N 117 
GGD C40 C41  SING N N 118 
GGD C40 H401 SING N N 119 
GGD C40 H402 SING N N 120 
GGD C41 C42  SING N N 121 
GGD C41 H411 SING N N 122 
GGD C41 H412 SING N N 123 
GGD C42 C43  SING N N 124 
GGD C42 H421 SING N N 125 
GGD C42 H422 SING N N 126 
GGD C43 C44  SING N N 127 
GGD C43 H431 SING N N 128 
GGD C43 H432 SING N N 129 
GGD C44 C45  SING N N 130 
GGD C44 H441 SING N N 131 
GGD C44 H442 SING N N 132 
GGD C25 C26  SING N N 133 
GGD C25 H251 SING N N 134 
GGD C25 H252 SING N N 135 
GGD C26 C27  SING N N 136 
GGD C26 H261 SING N N 137 
GGD C26 H262 SING N N 138 
GGD C27 C28  SING N N 139 
GGD C27 H271 SING N N 140 
GGD C27 H272 SING N N 141 
GGD C28 C29  SING N N 142 
GGD C28 H281 SING N N 143 
GGD C28 H282 SING N N 144 
GGD C29 C30  SING N N 145 
GGD C29 H291 SING N N 146 
GGD C29 H292 SING N N 147 
GGD C30 C48  SING N N 148 
GGD C30 H301 SING N N 149 
GGD C30 H302 SING N N 150 
GGD C48 H481 SING N N 151 
GGD C48 H482 SING N N 152 
GGD C48 H483 SING N N 153 
GGD C45 C46  SING N N 154 
GGD C45 H451 SING N N 155 
GGD C45 H452 SING N N 156 
GGD C46 C47  SING N N 157 
GGD C46 H461 SING N N 158 
GGD C46 H462 SING N N 159 
GGD C47 H471 SING N N 160 
GGD C47 H472 SING N N 161 
GGD C47 H473 SING N N 162 
# 
loop_
_pdbx_chem_comp_descriptor.comp_id 
_pdbx_chem_comp_descriptor.type 
_pdbx_chem_comp_descriptor.program 
_pdbx_chem_comp_descriptor.program_version 
_pdbx_chem_comp_descriptor.descriptor 
GGD SMILES           ACDLabs              10.04 O=C(OCC(OC(=O)CCCCCCCC/C=C/CCCCCCCC)COC2OC(CO)C(O)C(OC1OC(C(O)C(O)C1O)CO)C2O)CCCCCCC/C=C/CCCCCCCC 
GGD InChI            InChI                1.02b 
;InChI=1/C52H94O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-44(56)64-40(38-62-43(55)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)39-63-51-49(61)50(46(58)42(37-54)65-51)67-52-48(60)47(59)45(57)41(36-53)66-52/h17-20,40-42,45-54,57-61H,3-16,21-39H2,1-2H3/b19-17+,20-18+/t40?,41-,42-,45-,46+,47+,48-,49-,50+,51-,52+/m1/s1
;
GGD InChIKey         InChI                1.02b OGKQOSUHVSQNSH-IQXSWRQFBL 
GGD SMILES_CANONICAL CACTVS               3.341 CCCCCCCC/C=C/CCCCCCCCC(=O)O[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O)COC(=O)CCCCCCC\C=C\CCCCCCCC 
GGD SMILES           CACTVS               3.341 CCCCCCCCC=CCCCCCCCCC(=O)O[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH]1O)COC(=O)CCCCCCCC=CCCCCCCCC 
GGD SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 CCCCCCCCC=CCCCCCCCCC(=O)OC(CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)COC(=O)CCCCCCCC=CCCCCCCCC 
GGD SMILES           "OpenEye OEToolkits" 1.5.0 CCCCCCCCC=CCCCCCCCCC(=O)OC(COC1C(C(C(C(O1)CO)O)OC2C(C(C(C(O2)CO)O)O)O)O)COC(=O)CCCCCCCC=CCCCCCCCC 
# 
loop_
_pdbx_chem_comp_identifier.comp_id 
_pdbx_chem_comp_identifier.type 
_pdbx_chem_comp_identifier.program 
_pdbx_chem_comp_identifier.program_version 
_pdbx_chem_comp_identifier.identifier 
GGD "SYSTEMATIC NAME" ACDLabs              10.04 "(1S)-2-[(3-O-beta-D-glucopyranosyl-beta-D-galactopyranosyl)oxy]-1-{[(9E)-octadec-9-enoyloxy]methyl}ethyl (10E)-nonadec-10-enoate"                                                           
GGD "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "[1-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-3-octadec-9-enoyloxy-propan-2-yl] nonadec-10-enoate" 
# 
