data_RPA
# 
_chem_comp.id                                    RPA 
_chem_comp.name                                  "RHODOPINAL GLUCOSIDE" 
_chem_comp.type                                  SACCHARIDE 
_chem_comp.pdbx_type                             ATOMS 
_chem_comp.formula                               "C46 H66 O7" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2001-05-03 
_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                        731.012 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     RPA 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   N 
_chem_comp.pdbx_ideal_coordinates_details        ? 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        1IJD 
_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 
RPA "C1'"  "C1'"  C 0 1 N N S 26.330 -1.174 49.558 1.630  0.680  -12.004 "C1'"  RPA 1   
RPA "C2'"  "C2'"  C 0 1 N N R 26.116 -1.935 50.881 2.776  1.372  -11.263 "C2'"  RPA 2   
RPA "C3'"  "C3'"  C 0 1 N N S 24.738 -1.683 51.501 4.110  0.868  -11.824 "C3'"  RPA 3   
RPA "C4'"  "C4'"  C 0 1 N N S 24.476 -0.173 51.581 4.122  -0.663 -11.758 "C4'"  RPA 4   
RPA "C5'"  "C5'"  C 0 1 N N R 24.684 0.473  50.211 2.874  -1.202 -12.461 "C5'"  RPA 5   
RPA "C6'"  "C6'"  C 0 1 N N N 24.515 1.996  50.305 2.894  -2.731 -12.429 "C6'"  RPA 6   
RPA "O1'"  "O1'"  O 0 1 N N N 27.814 -1.386 48.757 0.381  1.168  -11.510 "O1'"  RPA 7   
RPA "O2'"  "O2'"  O 0 1 N N N 26.383 -3.300 50.675 2.682  2.785  -11.449 "O2'"  RPA 8   
RPA "O3'"  "O3'"  O 0 1 N N N 24.672 -2.244 52.811 5.189  1.389  -11.046 "O3'"  RPA 9   
RPA "O4'"  "O4'"  O 0 1 N N N 23.169 0.085  52.072 5.291  -1.163 -12.410 "O4'"  RPA 10  
RPA "O5'"  "O5'"  O 0 1 N N N 26.007 0.197  49.730 1.703  -0.729 -11.798 "O5'"  RPA 11  
RPA "O6'"  "O6'"  O 0 1 N N N 25.334 2.670  49.352 1.733  -3.237 -13.091 "O6'"  RPA 12  
RPA C1     C1     C 0 1 N N N 28.359 -1.323 47.311 -0.628 0.699  -12.406 C1     RPA 13  
RPA CM1    CM1    C 0 1 N N N 29.740 -1.888 47.349 -0.489 -0.813 -12.585 CM1    RPA 14  
RPA CM2    CM2    C 0 1 N N N 28.385 0.118  46.864 -0.468 1.390  -13.761 CM2    RPA 15  
RPA C2     C2     C 0 1 N N N 27.420 -2.217 46.383 -2.009 1.020  -11.830 C2     RPA 16  
RPA C3     C3     C 0 1 N N N 27.945 -2.421 44.960 -2.169 0.329  -10.474 C3     RPA 17  
RPA C4     C4     C 0 1 N N N 27.025 -1.772 43.916 -3.550 0.650  -9.898  C4     RPA 18  
RPA C5     C5     C 0 1 N N N 27.143 -2.380 42.587 -3.708 -0.030 -8.563  C5     RPA 19  
RPA CM3    CM3    C 0 1 N N N 27.314 -3.864 42.412 -4.279 -1.422 -8.489  CM3    RPA 20  
RPA C6     C6     C 0 1 N N N 27.139 -1.525 41.539 -3.341 0.601  -7.443  C6     RPA 21  
RPA C7     C7     C 0 1 N N N 27.227 -1.913 40.138 -3.375 -0.080 -6.201  C7     RPA 22  
RPA C8     C8     C 0 1 N N N 26.609 -1.284 39.119 -2.894 0.522  -5.081  C8     RPA 23  
RPA C9     C9     C 0 1 N N N 26.667 -1.665 37.706 -2.802 -0.199 -3.879  C9     RPA 24  
RPA CM4    CM4    C 0 1 N N N 26.650 -3.097 37.243 -3.116 -1.673 -3.859  CM4    RPA 25  
RPA C10    C10    C 0 1 N N N 26.698 -0.644 36.820 -2.429 0.435  -2.729  C10    RPA 26  
RPA C11    C11    C 0 1 N N N 26.720 -0.712 35.365 -2.337 -0.284 -1.530  C11    RPA 27  
RPA C12    C12    C 0 1 N N N 26.299 0.306  34.577 -1.961 0.355  -0.369  C12    RPA 28  
RPA C13    C13    C 0 1 N N N 26.286 0.319  33.111 -1.998 -0.328 0.849   C13    RPA 29  
RPA CM5    CM5    C 0 1 N N N 26.509 -0.935 32.312 -2.570 -1.721 0.915   CM5    RPA 30  
RPA C14    C14    C 0 1 N N N 26.082 1.520  32.538 -1.511 0.271  1.992   C14    RPA 31  
RPA C15    C15    C 0 1 N N N 25.965 1.932  31.150 -1.549 -0.412 3.211   C15    RPA 32  
RPA C16    C16    C 0 1 N N N 25.669 2.941  30.560 -1.062 0.188  4.354   C16    RPA 33  
RPA C17    C17    C 0 1 N N N 25.484 3.453  29.216 -1.099 -0.494 5.572   C17    RPA 34  
RPA C18    C18    C 0 1 N N N 25.364 4.744  28.822 -0.613 0.106  6.716   C18    RPA 35  
RPA CM6    CM6    C 0 1 N N N 25.434 5.868  29.823 -0.041 1.498  6.650   CM6    RPA 36  
RPA C19    C19    C 0 1 N N N 25.114 4.951  27.390 -0.650 -0.577 7.934   C19    RPA 37  
RPA C20    C20    C 0 1 N N N 24.010 5.502  26.859 -0.273 0.063  9.097   C20    RPA 38  
RPA C21    C21    C 0 1 N N N 23.591 5.753  25.500 -0.182 -0.654 10.293  C21    RPA 39  
RPA C22    C22    C 0 1 N N N 23.207 6.888  24.877 0.092  0.004  11.473  C22    RPA 40  
RPA CM7    CM7    C 0 1 N N N 23.284 8.226  25.570 0.204  1.507  11.489  CM7    RPA 41  
RPA C23    C23    C 0 1 N N N 22.744 6.806  23.482 0.265  -0.722 12.656  C23    RPA 42  
RPA C24    C24    C 0 1 N N N 21.602 7.360  23.027 0.539  -0.064 13.835  C24    RPA 43  
RPA C25    C25    C 0 1 N N N 21.031 7.391  21.689 0.713  -0.792 15.019  C25    RPA 44  
RPA C26    C26    C 0 1 N N N 20.185 8.356  21.242 0.870  -0.137 16.207  C26    RPA 45  
RPA CM8    CM8    C 0 1 N N N 19.793 9.488  22.162 0.701  1.359  16.270  CM8    RPA 46  
RPA C27    C27    C 0 1 N N N 19.673 8.315  19.880 1.190  -0.857 17.370  C27    RPA 47  
RPA C28    C28    C 0 1 N N N 19.673 7.193  18.861 1.346  -0.205 18.553  C28    RPA 48  
RPA C29    C29    C 0 1 N N N 18.268 6.771  18.569 1.668  -0.932 19.726  C29    RPA 49  
RPA C30    C30    C 0 1 N N N 17.763 6.639  17.307 1.720  -0.306 20.907  C30    RPA 50  
RPA CM9    CM9    C 0 1 N N N 16.338 6.232  17.102 2.181  -1.050 22.133  CM9    RPA 51  
RPA CM0    CM0    C 0 1 N N N 18.609 6.918  16.120 1.316  1.141  21.011  CM0    RPA 52  
RPA O11    1OM6   O 0 1 N N N 24.387 6.382  30.172 -1.069 2.419  6.279   O11    RPA 53  
RPA "H1'"  "H1'"  H 0 1 N N N 25.621 -1.660 48.847 1.706  0.894  -13.070 "H1'"  RPA 54  
RPA "H2'"  "H2'"  H 0 1 N N N 26.834 -1.541 51.637 2.717  1.139  -10.199 "H2'"  RPA 55  
RPA "H3'"  "H3'"  H 0 1 N N N 23.964 -2.166 50.859 4.217  1.190  -12.860 "H3'"  RPA 56  
RPA "H4'"  "H4'"  H 0 1 N N N 25.204 0.277  52.295 4.120  -0.983 -10.716 "H4'"  RPA 57  
RPA "H5'"  "H5'"  H 0 1 N N N 23.924 0.049  49.512 2.866  -0.861 -13.497 "H5'"  RPA 58  
RPA "H6'1" "1H6'" H 0 0 N N N 23.445 2.295  50.208 3.788  -3.094 -12.935 "H6'1" RPA 59  
RPA "H6'2" "2H6'" H 0 0 N N N 24.704 2.365  51.340 2.900  -3.073 -11.393 "H6'2" RPA 60  
RPA "HO2'" "'HO2" H 0 0 N N N 26.251 -3.769 51.490 1.830  3.059  -11.083 "HO2'" RPA 61  
RPA "HO3'" "'HO3" H 0 0 N N N 23.817 -2.087 53.195 5.144  2.353  -11.116 "HO3'" RPA 62  
RPA "HO4'" "'HO4" H 0 0 N N N 23.006 1.019  52.121 6.052  -0.799 -11.936 "HO4'" RPA 63  
RPA "HO6'" "'HO6" H 0 0 N N N 25.229 3.612  49.410 1.785  -4.202 -13.048 "HO6'" RPA 64  
RPA HM11   1HM1   H 0 0 N N N 30.132 -1.842 46.306 -0.393 -1.287 -11.608 HM11   RPA 65  
RPA HM12   2HM1   H 0 0 N N N 30.401 -1.383 48.091 -1.372 -1.201 -13.092 HM12   RPA 66  
RPA HM13   3HM1   H 0 0 N N N 29.785 -2.910 47.792 0.396  -1.028 -13.182 HM13   RPA 67  
RPA HM21   1HM2   H 0 0 N N N 28.777 0.163  45.821 -0.378 2.466  -13.612 HM21   RPA 68  
RPA HM22   2HM2   H 0 0 N N N 27.391 0.614  46.966 0.427  1.016  -14.256 HM22   RPA 69  
RPA HM23   3HM2   H 0 0 N N N 28.957 0.770  47.563 -1.340 1.181  -14.381 HM23   RPA 70  
RPA H21A   1H2    H 0 0 N N N 27.218 -3.200 46.867 -2.780 0.663  -12.513 H21A   RPA 71  
RPA H22    2H2    H 0 1 N N N 26.386 -1.799 46.359 -2.108 2.098  -11.702 H22    RPA 72  
RPA H31    1H3    H 0 1 N N N 28.994 -2.058 44.858 -1.399 0.687  -9.791  H31    RPA 73  
RPA H32    2H3    H 0 1 N N N 28.111 -3.501 44.739 -2.070 -0.748 -10.602 H32    RPA 74  
RPA H41    1H4    H 0 1 N N N 25.965 -1.777 44.262 -4.320 0.293  -10.581 H41    RPA 75  
RPA H42    2H4    H 0 1 N N N 27.195 -0.671 43.865 -3.649 1.728  -9.771  H42    RPA 76  
RPA HM31   1HM3   H 0 0 N N N 27.403 -4.326 41.401 -4.223 -1.784 -7.463  HM31   RPA 77  
RPA HM32   2HM3   H 0 0 N N N 28.198 -4.180 43.013 -5.320 -1.405 -8.813  HM32   RPA 78  
RPA HM33   3HM3   H 0 0 N N N 26.477 -4.370 42.947 -3.707 -2.084 -9.140  HM33   RPA 79  
RPA H6     H6     H 0 1 N N N 27.060 -0.466 41.839 -3.019 1.631  -7.485  H6     RPA 80  
RPA H7     H7     H 0 1 N N N 27.828 -2.778 39.812 -3.782 -1.078 -6.144  H7     RPA 81  
RPA H8     H8     H 0 1 N N N 26.025 -0.412 39.459 -2.583 1.556  -5.116  H8     RPA 82  
RPA HM41   1HM4   H 0 0 N N N 26.694 -3.387 36.167 -3.468 -1.982 -4.843  HM41   RPA 83  
RPA HM42   2HM4   H 0 0 N N N 27.480 -3.626 37.766 -2.216 -2.232 -3.603  HM42   RPA 84  
RPA HM43   3HM4   H 0 0 N N N 25.745 -3.579 37.681 -3.890 -1.869 -3.117  HM43   RPA 85  
RPA H10    H10    H 0 1 N N N 26.706 0.333  37.330 -2.204 1.491  -2.743  H10    RPA 86  
RPA H11    H11    H 0 1 N N N 27.082 -1.599 34.819 -2.562 -1.340 -1.516  H11    RPA 87  
RPA H12    H12    H 0 1 N N N 25.947 1.172  35.161 -1.636 1.385  -0.401  H12    RPA 88  
RPA HM51   1HM5   H 0 0 N N N 26.499 -0.925 31.197 -2.828 -2.056 -0.089  HM51   RPA 89  
RPA HM52   2HM5   H 0 0 N N N 27.474 -1.385 32.642 -1.831 -2.397 1.344   HM52   RPA 90  
RPA HM53   3HM5   H 0 0 N N N 25.769 -1.696 32.654 -3.464 -1.718 1.537   HM53   RPA 91  
RPA H14    H14    H 0 1 N N N 25.997 2.285  33.328 -1.102 1.269  1.945   H14    RPA 92  
RPA H15    H15    H 0 1 N N N 26.160 1.281  30.280 -1.959 -1.410 3.258   H15    RPA 93  
RPA H16    H16    H 0 1 N N N 25.534 3.543  31.474 -0.652 1.186  4.307   H16    RPA 94  
RPA H17    H17    H 0 1 N N N 25.425 2.754  28.364 -1.509 -1.492 5.619   H17    RPA 95  
RPA HM62   2HM6   H 0 0 N N N 25.991 5.522  30.724 0.357  1.774  7.627   HM62   RPA 96  
RPA HM63   3HM6   H 0 0 N N N 26.121 6.658  29.440 0.757  1.529  5.910   HM63   RPA 97  
RPA H19    H19    H 0 1 N N N 25.845 4.656  26.618 -0.973 -1.607 7.966   H19    RPA 98  
RPA H20    H20    H 0 1 N N N 23.332 5.798  27.677 -0.050 1.120  9.083   H20    RPA 99  
RPA H21    H21    H 0 1 N N N 23.557 4.905  24.794 -0.326 -1.724 10.292  H21    RPA 100 
RPA HM71   1HM7   H 0 0 N N N 22.967 9.163  25.055 -0.761 1.941  11.745  HM71   RPA 101 
RPA HM72   2HM7   H 0 0 N N N 22.718 8.150  26.528 0.945  1.808  12.230  HM72   RPA 102 
RPA HM73   3HM7   H 0 0 N N N 24.329 8.367  25.930 0.511  1.859  10.504  HM73   RPA 103 
RPA H23    H23    H 0 1 N N N 23.310 6.275  22.698 0.185  -1.799 12.644  H23    RPA 104 
RPA H24    H24    H 0 1 N N N 21.065 7.851  23.856 0.620  1.012  13.846  H24    RPA 105 
RPA H25    H25    H 0 1 N N N 21.260 6.610  20.944 0.723  -1.872 14.993  H25    RPA 106 
RPA HM81   1HM8   H 0 0 N N N 19.098 10.279 21.795 0.262  1.635  17.229  HM81   RPA 107 
RPA HM82   2HM8   H 0 0 N N N 19.374 9.054  23.100 1.674  1.839  16.164  HM82   RPA 108 
RPA HM83   3HM8   H 0 0 N N N 20.721 9.976  22.540 0.046  1.685  15.463  HM83   RPA 109 
RPA H27    H27    H 0 1 N N N 19.219 9.273  19.576 1.311  -1.929 17.325  H27    RPA 110 
RPA H28    H28    H 0 1 N N N 20.568 6.746  18.397 1.225  0.867  18.598  H28    RPA 111 
RPA H29    H29    H 0 1 N N N 17.535 6.534  19.358 1.871  -1.991 19.667  H29    RPA 112 
RPA HM91   1HM9   H 0 0 N N N 15.925 6.124  16.071 2.157  -0.381 22.994  HM91   RPA 113 
RPA HM92   2HM9   H 0 0 N N N 16.163 5.277  17.650 1.522  -1.899 22.314  HM92   RPA 114 
RPA HM93   3HM9   H 0 0 N N N 15.686 6.938  17.667 3.200  -1.407 21.980  HM93   RPA 115 
RPA HM01   1HM0   H 0 0 N N N 18.196 6.810  15.089 0.308  1.266  20.616  HM01   RPA 116 
RPA HM02   2HM0   H 0 0 N N N 19.024 7.947  16.222 1.339  1.450  22.055  HM02   RPA 117 
RPA HM03   3HM0   H 0 0 N N N 19.529 6.293  16.193 2.010  1.754  20.435  HM03   RPA 118 
RPA HM61   1HM6   H 0 0 N N N 24.431 7.090  30.803 -0.662 3.295  6.249   HM61   RPA 119 
# 
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 
RPA "C1'" "C2'"  SING N N 1   
RPA "C1'" "O1'"  SING N N 2   
RPA "C1'" "O5'"  SING N N 3   
RPA "C1'" "H1'"  SING N N 4   
RPA "C2'" "C3'"  SING N N 5   
RPA "C2'" "O2'"  SING N N 6   
RPA "C2'" "H2'"  SING N N 7   
RPA "C3'" "C4'"  SING N N 8   
RPA "C3'" "O3'"  SING N N 9   
RPA "C3'" "H3'"  SING N N 10  
RPA "C4'" "C5'"  SING N N 11  
RPA "C4'" "O4'"  SING N N 12  
RPA "C4'" "H4'"  SING N N 13  
RPA "C5'" "C6'"  SING N N 14  
RPA "C5'" "O5'"  SING N N 15  
RPA "C5'" "H5'"  SING N N 16  
RPA "C6'" "O6'"  SING N N 17  
RPA "C6'" "H6'1" SING N N 18  
RPA "C6'" "H6'2" SING N N 19  
RPA "O1'" C1     SING N N 20  
RPA "O2'" "HO2'" SING N N 21  
RPA "O3'" "HO3'" SING N N 22  
RPA "O4'" "HO4'" SING N N 23  
RPA "O6'" "HO6'" SING N N 24  
RPA C1    CM1    SING N N 25  
RPA C1    CM2    SING N N 26  
RPA C1    C2     SING N N 27  
RPA CM1   HM11   SING N N 28  
RPA CM1   HM12   SING N N 29  
RPA CM1   HM13   SING N N 30  
RPA CM2   HM21   SING N N 31  
RPA CM2   HM22   SING N N 32  
RPA CM2   HM23   SING N N 33  
RPA C2    C3     SING N N 34  
RPA C2    H21A   SING N N 35  
RPA C2    H22    SING N N 36  
RPA C3    C4     SING N N 37  
RPA C3    H31    SING N N 38  
RPA C3    H32    SING N N 39  
RPA C4    C5     SING N N 40  
RPA C4    H41    SING N N 41  
RPA C4    H42    SING N N 42  
RPA C5    CM3    SING N N 43  
RPA C5    C6     DOUB N E 44  
RPA CM3   HM31   SING N N 45  
RPA CM3   HM32   SING N N 46  
RPA CM3   HM33   SING N N 47  
RPA C6    C7     SING N N 48  
RPA C6    H6     SING N N 49  
RPA C7    C8     DOUB N E 50  
RPA C7    H7     SING N N 51  
RPA C8    C9     SING N N 52  
RPA C8    H8     SING N N 53  
RPA C9    CM4    SING N N 54  
RPA C9    C10    DOUB N E 55  
RPA CM4   HM41   SING N N 56  
RPA CM4   HM42   SING N N 57  
RPA CM4   HM43   SING N N 58  
RPA C10   C11    SING N N 59  
RPA C10   H10    SING N N 60  
RPA C11   C12    DOUB N E 61  
RPA C11   H11    SING N N 62  
RPA C12   C13    SING N N 63  
RPA C12   H12    SING N N 64  
RPA C13   CM5    SING N N 65  
RPA C13   C14    DOUB N E 66  
RPA CM5   HM51   SING N N 67  
RPA CM5   HM52   SING N N 68  
RPA CM5   HM53   SING N N 69  
RPA C14   C15    SING N N 70  
RPA C14   H14    SING N N 71  
RPA C15   C16    DOUB N E 72  
RPA C15   H15    SING N N 73  
RPA C16   C17    SING N N 74  
RPA C16   H16    SING N N 75  
RPA C17   C18    DOUB N Z 76  
RPA C17   H17    SING N N 77  
RPA C18   CM6    SING N N 78  
RPA C18   C19    SING N N 79  
RPA CM6   O11    SING N N 80  
RPA CM6   HM62   SING N N 81  
RPA CM6   HM63   SING N N 82  
RPA C19   C20    DOUB N E 83  
RPA C19   H19    SING N N 84  
RPA C20   C21    SING N N 85  
RPA C20   H20    SING N N 86  
RPA C21   C22    DOUB N E 87  
RPA C21   H21    SING N N 88  
RPA C22   CM7    SING N N 89  
RPA C22   C23    SING N N 90  
RPA CM7   HM71   SING N N 91  
RPA CM7   HM72   SING N N 92  
RPA CM7   HM73   SING N N 93  
RPA C23   C24    DOUB N E 94  
RPA C23   H23    SING N N 95  
RPA C24   C25    SING N N 96  
RPA C24   H24    SING N N 97  
RPA C25   C26    DOUB N E 98  
RPA C25   H25    SING N N 99  
RPA C26   CM8    SING N N 100 
RPA C26   C27    SING N N 101 
RPA CM8   HM81   SING N N 102 
RPA CM8   HM82   SING N N 103 
RPA CM8   HM83   SING N N 104 
RPA C27   C28    DOUB N E 105 
RPA C27   H27    SING N N 106 
RPA C28   C29    SING N N 107 
RPA C28   H28    SING N N 108 
RPA C29   C30    DOUB N N 109 
RPA C29   H29    SING N N 110 
RPA C30   CM9    SING N N 111 
RPA C30   CM0    SING N N 112 
RPA CM9   HM91   SING N N 113 
RPA CM9   HM92   SING N N 114 
RPA CM9   HM93   SING N N 115 
RPA CM0   HM01   SING N N 116 
RPA CM0   HM02   SING N N 117 
RPA CM0   HM03   SING N N 118 
RPA O11   HM61   SING N N 119 
# 
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 
RPA SMILES           ACDLabs              10.04 O(C(CCCC(=C\C=C\C(=C\C=C\C(=C\C=C\C=C(\C=C\C=C(\C=C\C=C(\C=C\C=C(/C)C)C)C)CO)C)C)\C)(C)C)C1OC(C(O)C(O)C1O)CO 
RPA InChI            InChI                1.02b 
;InChI=1/C46H66O7/c1-34(2)18-12-20-36(4)22-14-25-38(6)27-16-30-40(32-47)29-11-10-19-35(3)21-13-23-37(5)24-15-26-39(7)28-17-31-46(8,9)53-45-44(51)43(50)42(49)41(33-48)52-45/h10-16,18-27,29-30,41-45,47-51H,17,28,31-33H2,1-9H3/b11-10+,20-12?,21-13+,24-15+,25-14+,30-16+,35-19+,36-22+,37-23+,38-27+,39-26+,40-29-/t41-,42-,43+,44-,45+/m1/s1
;
RPA InChIKey         InChI                1.02b KKQLCQBTEUVHBX-DSGXVNCLBS 
RPA SMILES_CANONICAL CACTVS               3.341 CC(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C(CO)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(C)/CCCC(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 
RPA SMILES           CACTVS               3.341 CC(C)=CC=CC(C)=CC=CC(C)=CC=CC(CO)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCCC(C)(C)O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O 
RPA SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 CC(=CC=C/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CCCC(C)(C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/CO)/C)/C)C 
RPA SMILES           "OpenEye OEToolkits" 1.5.0 CC(=CC=CC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCCC(C)(C)OC1C(C(C(C(O1)CO)O)O)O)CO)C)C)C 
# 
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 
RPA "SYSTEMATIC NAME" ACDLabs              10.04 
;(3E)-20-hydroxy-3,4-didehydro-1',2'-dihydro-psi,psi-caroten-1'-yl beta-D-glucopyranoside
;
RPA "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(6E,8E,10E,12E,14E,16E,18Z,20E,22E,24E,26E)-19-(hydroxymethyl)-2,6,10,14,23,27,31-heptamethyl-dotriaconta-6,8,10,12,14,16,18,20,22,24,26,28,30-tridecaen-2-yl]oxy-oxane-3,4,5-triol 
# 
