data_AAO
# 
_chem_comp.id                                    AAO 
_chem_comp.name                                  "ACARBOSE DERIVED HEXASACCHARIDE" 
_chem_comp.type                                  SACCHARIDE 
_chem_comp.pdbx_type                             ATOMS 
_chem_comp.formula                               "C37 H63 N O28" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         4,6-DIDEOXY-4-{[4-[(4-O-HEXOPYRANOSYLHEXOPYRANOSYL)OXY]-5,6-DIHYDROXY-3-(HYDROXYMETHYL)CYCLOHEX-2-EN-1-YL]AMINO}HEXOPYRANOSYL-(1->4)HEXOPYRANOSYL-(1->4)HEXOPYRANOSE 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2004-11-18 
_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                        969.886 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     AAO 
_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        1XH0 
_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 
AAO C1A  C1A  C 0 1 N N R 15.893 14.900 37.296 7.727   -2.761 -0.586 C1A  AAO 1   
AAO C2A  C2A  C 0 1 N N R 15.434 14.838 35.818 7.541   -4.075 0.177  C2A  AAO 2   
AAO C3A  C3A  C 0 1 N N S 14.785 13.474 35.528 7.844   -3.840 1.660  C3A  AAO 3   
AAO C4A  C4A  C 0 1 N N S 15.816 12.382 35.839 9.235   -3.207 1.781  C4A  AAO 4   
AAO C5A  C5A  C 0 1 N N R 16.261 12.494 37.325 9.294   -1.959 0.898  C5A  AAO 5   
AAO C6A  C6A  C 0 1 N N N 17.368 11.457 37.623 10.668  -1.302 1.039  C6A  AAO 6   
AAO O2A  O2A  O 0 1 N N N 14.534 15.889 35.550 6.194   -4.527 0.030  O2A  AAO 7   
AAO O3A  O3A  O 0 1 N N N 14.425 13.401 34.169 7.821   -5.085 2.361  O3A  AAO 8   
AAO O4A  O4A  O 0 1 N N N 15.262 11.103 35.586 9.479   -2.843 3.141  O4A  AAO 9   
AAO O5A  O5A  O 0 1 N N N 16.794 13.812 37.576 9.078   -2.321 -0.465 O5A  AAO 10  
AAO O6A  O6A  O 0 1 N N N 16.870 10.444 38.465 10.685  -0.071 0.313  O6A  AAO 11  
AAO C1B  C1B  C 0 1 N N S 13.587 17.654 41.186 5.284   1.425  -2.117 C1B  AAO 12  
AAO C2B  C2B  C 0 1 N N R 13.141 17.911 39.722 5.576   0.191  -2.973 C2B  AAO 13  
AAO C3B  C3B  C 0 1 N N R 13.271 16.640 38.861 5.735   -1.027 -2.059 C3B  AAO 14  
AAO C4B  C4B  C 0 1 N N S 14.669 16.010 39.022 6.793   -0.706 -0.996 C4B  AAO 15  
AAO C5B  C5B  C 0 1 N N R 14.865 15.661 40.525 6.410   0.595  -0.288 C5B  AAO 16  
AAO C6B  C6B  C 0 1 N N N 16.229 14.992 40.792 7.443   0.905  0.797  C6B  AAO 17  
AAO O2B  O2B  O 0 1 N N N 11.789 18.334 39.713 4.493   -0.030 -3.879 O2B  AAO 18  
AAO O3B  O3B  O 0 1 N N N 13.039 16.977 37.504 6.155   -2.157 -2.827 O3B  AAO 19  
AAO O4B  O4B  O 0 1 N N N 14.774 14.845 38.198 6.853   -1.769 -0.043 O4B  AAO 20  
AAO O5B  O5B  O 0 1 N N N 14.795 16.868 41.293 6.375   1.666  -1.230 O5B  AAO 21  
AAO O6B  O6B  O 0 1 N N N 17.284 15.809 40.337 7.045   2.076  1.513  O6B  AAO 22  
AAO C1C  C1C  C 0 1 N N R 6.605  14.579 42.221 -3.661  2.536  1.991  C1C  AAO 23  
AAO C2C  C2C  C 0 1 N N R 6.907  14.367 43.737 -3.260  3.911  1.452  C2C  AAO 24  
AAO C3C  C3C  C 0 1 N N S 7.426  15.660 44.424 -2.270  3.726  0.297  C3C  AAO 25  
AAO C4C  C4C  C 0 1 N N S 8.565  16.304 43.616 -1.109  2.852  0.783  C4C  AAO 26  
AAO C5C  C5C  C 0 1 N N R 8.069  16.563 42.170 -1.673  1.556  1.371  C5C  AAO 27  
AAO C6C  C6C  C 0 1 N N N 9.173  17.182 41.316 -0.519  0.661  1.828  C6C  AAO 28  
AAO O2C  O2C  O 0 1 N N N 5.730  13.939 44.402 -4.422  4.598  0.982  O2C  AAO 29  
AAO O3C  O3C  O 0 1 N N N 7.890  15.334 45.719 -1.774  5.000  -0.119 O3C  AAO 30  
AAO O5C  O5C  O 0 1 N N N 7.652  15.303 41.553 -2.509  1.857  2.486  O5C  AAO 31  
AAO N4C  N4C  N 0 1 N N N 9.022  17.567 44.288 -0.225  2.535  -0.346 N4C  AAO 32  
AAO C1H  C1H  C 0 1 N N S 10.216 17.456 45.192 0.813   3.574  -0.374 C1H  AAO 33  
AAO C2H  C2H  C 0 1 N N S 11.138 18.663 45.005 1.357   3.709  -1.798 C2H  AAO 34  
AAO C3H  C3H  C 0 1 N N R 11.713 18.660 43.562 2.183   2.463  -2.126 C3H  AAO 35  
AAO C4H  C4H  C 0 1 N N R 12.535 17.332 43.302 3.435   2.469  -1.247 C4H  AAO 36  
AAO C5H  C5H  C 0 1 N N N 11.981 16.070 44.044 3.060   2.711  0.186  C5H  AAO 37  
AAO C6H  C6H  C 0 1 N N N 10.935 16.131 44.902 1.921   3.195  0.565  C6H  AAO 38  
AAO C7H  C7H  C 0 1 N N N 12.613 14.694 43.814 4.071   2.368  1.249  C7H  AAO 39  
AAO O2H  O2H  O 0 1 N N N 10.412 19.873 45.276 0.271   3.822  -2.720 O2H  AAO 40  
AAO O3H  O3H  O 0 1 N N N 12.551 19.782 43.376 2.563   2.481  -3.504 O3H  AAO 41  
AAO O4H  O4H  O 0 1 N N N 12.529 17.036 41.913 4.094   1.206  -1.357 O4H  AAO 42  
AAO O7H  O7H  O 0 1 N N N 13.824 14.277 44.438 3.600   2.824  2.519  O7H  AAO 43  
AAO C1G  C1G  C 0 1 N N R 1.794  14.354 39.930 -6.826  -1.394 1.510  C1G  AAO 44  
AAO C2G  C2G  C 0 1 N N R 1.941  13.849 41.381 -6.790  -0.386 2.662  C2G  AAO 45  
AAO C3G  C3G  C 0 1 N N R 3.042  14.635 42.104 -6.154  0.917  2.166  C3G  AAO 46  
AAO C4G  C4G  C 0 1 N N S 4.375  14.499 41.348 -4.793  0.592  1.541  C4G  AAO 47  
AAO C5G  C5G  C 0 1 N N R 4.152  15.048 39.895 -4.978  -0.490 0.474  C5G  AAO 48  
AAO C6G  C6G  C 0 1 N N N 5.416  14.917 39.015 -3.628  -0.800 -0.178 C6G  AAO 49  
AAO O1G  O1G  O 0 1 N N N 1.268  15.669 39.890 -7.576  -0.846 0.423  O1G  AAO 50  
AAO O2G  O2G  O 0 1 N N N 0.719  14.009 42.078 -8.121  -0.127 3.114  O2G  AAO 51  
AAO O3G  O3G  O 0 1 N N N 3.173  14.145 43.423 -5.976  1.815  3.263  O3G  AAO 52  
AAO O4G  O4G  O 0 1 N N N 5.364  15.269 42.031 -4.250  1.768  0.939  O4G  AAO 53  
AAO O5G  O5G  O 0 1 N N N 3.071  14.330 39.257 -5.498  -1.675 1.073  O5G  AAO 54  
AAO O6G  O6G  O 0 1 N N N 5.819  13.564 38.898 -3.810  -1.769 -1.212 O6G  AAO 55  
AAO C1T  C1T  C 0 1 N N S -1.571 17.511 37.354 -10.073 -2.989 -2.053 C1T  AAO 56  
AAO C2T  C2T  C 0 1 N N R -2.088 16.457 38.373 -9.912  -3.578 -0.649 C2T  AAO 57  
AAO C3T  C3T  C 0 1 N N R -1.039 16.236 39.482 -9.334  -2.503 0.279  C3T  AAO 58  
AAO C4T  C4T  C 0 1 N N S 0.315  15.848 38.851 -8.050  -1.951 -0.349 C4T  AAO 59  
AAO C5T  C5T  C 0 1 N N R 0.759  16.991 37.892 -8.350  -1.486 -1.776 C5T  AAO 60  
AAO C6T  C6T  C 0 1 N N N 2.098  16.661 37.212 -7.081  -0.905 -2.401 C6T  AAO 61  
AAO O1T  O1T  O 0 1 N Y N -1.557 18.797 37.954 -10.938 -1.853 -1.995 O1T  AAO 62  
AAO O2T  O2T  O 0 1 N N N -3.303 16.910 38.954 -11.185 -4.001 -0.157 O2T  AAO 63  
AAO O3T  O3T  O 0 1 N N N -1.474 15.206 40.352 -9.037  -3.076 1.554  O3T  AAO 64  
AAO O5T  O5T  O 0 1 N N N -0.247 17.184 36.881 -8.801  -2.590 -2.559 O5T  AAO 65  
AAO O6T  O6T  O 0 1 N N N 2.608  17.804 36.561 -7.385  -0.376 -3.693 O6T  AAO 66  
AAO H1A  H1A  H 0 1 N N N 16.416 15.872 37.451 7.490   -2.917 -1.638 H1A  AAO 67  
AAO H2A  H2A  H 0 1 N N N 16.320 14.955 35.151 8.224   -4.827 -0.219 H2A  AAO 68  
AAO H3A  H3A  H 0 1 N N N 13.872 13.340 36.153 7.098   -3.168 2.084  H3A  AAO 69  
AAO H4A  H4A  H 0 1 N N N 16.706 12.518 35.182 9.990   -3.922 1.454  H4A  AAO 70  
AAO H5A  H5A  H 0 1 N N N 15.376 12.306 37.977 8.522   -1.256 1.213  H5A  AAO 71  
AAO H6A1 1H6A H 0 0 N N N 18.284 11.934 38.042 10.871  -1.106 2.092  H6A1 AAO 72  
AAO H6A2 2H6A H 0 0 N N N 17.812 11.041 36.689 11.432  -1.969 0.640  H6A2 AAO 73  
AAO H11  H11  H 0 1 N N N 14.253 15.851 34.644 6.046   -4.662 -0.916 H11  AAO 74  
AAO H10  H10  H 0 1 N N N 14.024 12.559 33.990 6.930   -5.447 2.259  H10  AAO 75  
AAO H9   H9   H 0 1 N N N 15.901 10.427 35.779 9.433   -3.656 3.662  H9   AAO 76  
AAO H6A  H6A  H 0 1 N N N 17.550 9.807  38.648 11.567  0.309  0.428  H6A  AAO 77  
AAO H1B  H1B  H 0 1 N N N 13.825 18.650 41.627 5.146   2.291  -2.764 H1B  AAO 78  
AAO H2B  H2B  H 0 1 N N N 13.804 18.698 39.292 6.496   0.347  -3.536 H2B  AAO 79  
AAO H3B  H3B  H 0 1 N N N 12.517 15.891 39.198 4.785   -1.247 -1.573 H3B  AAO 80  
AAO H4B  H4B  H 0 1 N N N 15.466 16.720 38.700 7.766   -0.589 -1.474 H4B  AAO 81  
AAO H5B  H5B  H 0 1 N N N 14.062 14.944 40.816 5.427   0.483  0.169  H5B  AAO 82  
AAO H6B1 1H6B H 0 0 N N N 16.280 13.969 40.352 7.511   0.063  1.485  H6B1 AAO 83  
AAO H6B2 2H6B H 0 0 N N N 16.352 14.719 41.866 8.416   1.076  0.334  H6B2 AAO 84  
AAO H13  H13  H 0 1 N N N 11.516 18.491 38.817 4.428   0.759  -4.434 H13  AAO 85  
AAO H12  H12  H 0 1 N N N 13.119 16.193 36.973 5.462   -2.322 -3.481 H12  AAO 86  
AAO H6B  H6B  H 0 1 N N N 18.124 15.397 40.501 7.678   2.191  2.235  H6B  AAO 87  
AAO H1C  H1C  H 0 1 N N N 6.538  13.561 41.772 -4.384  2.660  2.797  H1C  AAO 88  
AAO H2C  H2C  H 0 1 N N N 7.707  13.594 43.807 -2.790  4.491  2.246  H2C  AAO 89  
AAO H3C  H3C  H 0 1 N N N 6.589  16.394 44.483 -2.771  3.238  -0.540 H3C  AAO 90  
AAO H4C  H4C  H 0 1 N N N 9.444  15.619 43.569 -0.546  3.386  1.548  H4C  AAO 91  
AAO H5C  H5C  H 0 1 N N N 7.208  17.270 42.225 -2.255  1.036  0.611  H5C  AAO 92  
AAO H6C1 1H6C H 0 0 N N N 10.099 16.562 41.328 -0.915  -0.182 2.395  H6C1 AAO 93  
AAO H6C2 2H6C H 0 0 N N N 8.816  17.368 40.276 0.020   0.290  0.956  H6C2 AAO 94  
AAO H6C3 3H6C H 0 0 N N N 9.583  18.108 41.782 0.160   1.236  2.458  H6C3 AAO 95  
AAO H6   H6   H 0 1 N N N 5.914  13.810 45.325 -5.019  4.687  1.738  H6   AAO 96  
AAO H7   H7   H 0 1 N N N 8.207  16.125 46.139 -2.539  5.518  -0.404 H7   AAO 97  
AAO H8   H8   H 0 1 N N N 8.244  17.984 44.799 0.238   1.668  -0.118 H8   AAO 98  
AAO H1H  H1H  H 0 1 N N N 9.894  17.457 46.259 0.382   4.524  -0.060 H1H  AAO 99  
AAO H2H  H2H  H 0 1 N N N 11.991 18.604 45.720 1.988   4.595  -1.866 H2H  AAO 100 
AAO H3H  H3H  H 0 1 N N N 10.866 18.709 42.839 1.595   1.568  -1.920 H3H  AAO 101 
AAO H4H  H4H  H 0 1 N N N 13.557 17.537 43.698 4.108   3.258  -1.582 H4H  AAO 102 
AAO H6H  H6H  H 0 1 N N N 10.682 15.152 45.342 1.758   3.336  1.623  H6H  AAO 103 
AAO H7H1 1H7H H 0 0 N N N 12.746 14.569 42.714 4.213   1.288  1.281  H7H1 AAO 104 
AAO H7H2 2H7H H 0 0 N N N 11.837 13.929 44.050 5.020   2.852  1.018  H7H2 AAO 105 
AAO H15  H15  H 0 1 N N N 10.984 20.622 45.160 0.659   3.891  -3.603 H15  AAO 106 
AAO H14  H14  H 0 1 N N N 12.903 19.780 42.494 1.745   2.477  -4.019 H14  AAO 107 
AAO H7H  H7H  H 0 1 N N N 14.216 13.424 44.295 4.314   2.670  3.153  H7H  AAO 108 
AAO H1G  H1G  H 0 1 N N N 1.083  13.671 39.409 -7.299  -2.315 1.849  H1G  AAO 109 
AAO H2G  H2G  H 0 1 N N N 2.214  12.768 41.354 -6.198  -0.792 3.482  H2G  AAO 110 
AAO H3G  H3G  H 0 1 N N N 2.767  15.715 42.138 -6.800  1.377  1.418  H3G  AAO 111 
AAO H4G  H4G  H 0 1 N N N 4.717  13.439 41.300 -4.114  0.230  2.313  H4G  AAO 112 
AAO H5G  H5G  H 0 1 N N N 3.905  16.131 39.993 -5.673  -0.133 -0.285 H5G  AAO 113 
AAO H6G1 1H6G H 0 0 N N N 6.245  15.561 39.390 -3.213  0.113  -0.604 H6G1 AAO 114 
AAO H6G2 2H6G H 0 0 N N N 5.271  15.390 38.016 -2.944  -1.194 0.573  H6G2 AAO 115 
AAO H2   H2   H 0 1 N N N 0.810  13.698 42.971 -8.483  -0.972 3.416  H2   AAO 116 
AAO H1   H1   H 0 1 N N N 3.855  14.632 43.871 -6.855  1.992  3.625  H1   AAO 117 
AAO H6G  H6G  H 0 1 N N N 6.596  13.484 38.357 -2.938  -1.935 -1.596 H6G  AAO 118 
AAO H1T  H1T  H 0 1 N N N -2.263 17.509 36.480 -10.506 -3.741 -2.713 H1T  AAO 119 
AAO H2T  H2T  H 0 1 N N N -2.266 15.494 37.840 -9.233  -4.430 -0.687 H2T  AAO 120 
AAO H3T  H3T  H 0 1 N N N -0.915 17.180 40.063 -10.058 -1.697 0.400  H3T  AAO 121 
AAO H4T  H4T  H 0 1 N N N 0.228  14.899 38.273 -7.290  -2.732 -0.373 H4T  AAO 122 
AAO H5T  H5T  H 0 1 N N N 0.888  17.920 38.495 -9.125  -0.720 -1.750 H5T  AAO 123 
AAO H6T1 1H6T H 0 0 N N N 2.011  15.791 36.520 -6.694  -0.109 -1.765 H6T1 AAO 124 
AAO H6T2 2H6T H 0 0 N N N 2.834  16.227 37.929 -6.330  -1.690 -2.497 H6T2 AAO 125 
AAO H5   H5   H 0 1 N N N -1.241 19.441 37.331 -11.014 -1.513 -2.897 H5   AAO 126 
AAO H4   H4   H 0 1 N N N -3.619 16.266 39.577 -11.511 -4.675 -0.769 H4   AAO 127 
AAO H3   H3   H 0 1 N N N -0.828 15.070 41.035 -9.871  -3.410 1.912  H3   AAO 128 
AAO H6T  H6T  H 0 1 N N N 3.435  17.600 36.141 -6.560  -0.020 -4.051 H6T  AAO 129 
# 
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 
AAO C1A C2A  SING N N 1   
AAO C1A O5A  SING N N 2   
AAO C1A O4B  SING N N 3   
AAO C1A H1A  SING N N 4   
AAO C2A C3A  SING N N 5   
AAO C2A O2A  SING N N 6   
AAO C2A H2A  SING N N 7   
AAO C3A C4A  SING N N 8   
AAO C3A O3A  SING N N 9   
AAO C3A H3A  SING N N 10  
AAO C4A C5A  SING N N 11  
AAO C4A O4A  SING N N 12  
AAO C4A H4A  SING N N 13  
AAO C5A C6A  SING N N 14  
AAO C5A O5A  SING N N 15  
AAO C5A H5A  SING N N 16  
AAO C6A O6A  SING N N 17  
AAO C6A H6A1 SING N N 18  
AAO C6A H6A2 SING N N 19  
AAO O2A H11  SING N N 20  
AAO O3A H10  SING N N 21  
AAO O4A H9   SING N N 22  
AAO O6A H6A  SING N N 23  
AAO C1B C2B  SING N N 24  
AAO C1B O5B  SING N N 25  
AAO C1B O4H  SING N N 26  
AAO C1B H1B  SING N N 27  
AAO C2B C3B  SING N N 28  
AAO C2B O2B  SING N N 29  
AAO C2B H2B  SING N N 30  
AAO C3B C4B  SING N N 31  
AAO C3B O3B  SING N N 32  
AAO C3B H3B  SING N N 33  
AAO C4B C5B  SING N N 34  
AAO C4B O4B  SING N N 35  
AAO C4B H4B  SING N N 36  
AAO C5B C6B  SING N N 37  
AAO C5B O5B  SING N N 38  
AAO C5B H5B  SING N N 39  
AAO C6B O6B  SING N N 40  
AAO C6B H6B1 SING N N 41  
AAO C6B H6B2 SING N N 42  
AAO O2B H13  SING N N 43  
AAO O3B H12  SING N N 44  
AAO O6B H6B  SING N N 45  
AAO C1C C2C  SING N N 46  
AAO C1C O5C  SING N N 47  
AAO C1C O4G  SING N N 48  
AAO C1C H1C  SING N N 49  
AAO C2C C3C  SING N N 50  
AAO C2C O2C  SING N N 51  
AAO C2C H2C  SING N N 52  
AAO C3C C4C  SING N N 53  
AAO C3C O3C  SING N N 54  
AAO C3C H3C  SING N N 55  
AAO C4C C5C  SING N N 56  
AAO C4C N4C  SING N N 57  
AAO C4C H4C  SING N N 58  
AAO C5C C6C  SING N N 59  
AAO C5C O5C  SING N N 60  
AAO C5C H5C  SING N N 61  
AAO C6C H6C1 SING N N 62  
AAO C6C H6C2 SING N N 63  
AAO C6C H6C3 SING N N 64  
AAO O2C H6   SING N N 65  
AAO O3C H7   SING N N 66  
AAO N4C C1H  SING N N 67  
AAO N4C H8   SING N N 68  
AAO C1H C2H  SING N N 69  
AAO C1H C6H  SING N N 70  
AAO C1H H1H  SING N N 71  
AAO C2H C3H  SING N N 72  
AAO C2H O2H  SING N N 73  
AAO C2H H2H  SING N N 74  
AAO C3H C4H  SING N N 75  
AAO C3H O3H  SING N N 76  
AAO C3H H3H  SING N N 77  
AAO C4H C5H  SING N N 78  
AAO C4H O4H  SING N N 79  
AAO C4H H4H  SING N N 80  
AAO C5H C6H  DOUB N N 81  
AAO C5H C7H  SING N N 82  
AAO C6H H6H  SING N N 83  
AAO C7H O7H  SING N N 84  
AAO C7H H7H1 SING N N 85  
AAO C7H H7H2 SING N N 86  
AAO O2H H15  SING N N 87  
AAO O3H H14  SING N N 88  
AAO O7H H7H  SING N N 89  
AAO C1G C2G  SING N N 90  
AAO C1G O1G  SING N N 91  
AAO C1G O5G  SING N N 92  
AAO C1G H1G  SING N N 93  
AAO C2G C3G  SING N N 94  
AAO C2G O2G  SING N N 95  
AAO C2G H2G  SING N N 96  
AAO C3G C4G  SING N N 97  
AAO C3G O3G  SING N N 98  
AAO C3G H3G  SING N N 99  
AAO C4G C5G  SING N N 100 
AAO C4G O4G  SING N N 101 
AAO C4G H4G  SING N N 102 
AAO C5G C6G  SING N N 103 
AAO C5G O5G  SING N N 104 
AAO C5G H5G  SING N N 105 
AAO C6G O6G  SING N N 106 
AAO C6G H6G1 SING N N 107 
AAO C6G H6G2 SING N N 108 
AAO O1G C4T  SING N N 109 
AAO O2G H2   SING N N 110 
AAO O3G H1   SING N N 111 
AAO O6G H6G  SING N N 112 
AAO C1T C2T  SING N N 113 
AAO C1T O1T  SING N N 114 
AAO C1T O5T  SING N N 115 
AAO C1T H1T  SING N N 116 
AAO C2T C3T  SING N N 117 
AAO C2T O2T  SING N N 118 
AAO C2T H2T  SING N N 119 
AAO C3T C4T  SING N N 120 
AAO C3T O3T  SING N N 121 
AAO C3T H3T  SING N N 122 
AAO C4T C5T  SING N N 123 
AAO C4T H4T  SING N N 124 
AAO C5T C6T  SING N N 125 
AAO C5T O5T  SING N N 126 
AAO C5T H5T  SING N N 127 
AAO C6T O6T  SING N N 128 
AAO C6T H6T1 SING N N 129 
AAO C6T H6T2 SING N N 130 
AAO O1T H5   SING N N 131 
AAO O2T H4   SING N N 132 
AAO O3T H3   SING N N 133 
AAO O6T H6T  SING N N 134 
# 
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 
AAO SMILES           ACDLabs              10.04 O(C1C(OC(O)C(O)C1O)CO)C6OC(C(OC5OC(C)C(NC4C=C(CO)C(OC3OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C3O)C(O)C4O)C(O)C5O)C(O)C6O)CO 
AAO InChI            InChI                1.02b 
;InChI=1/C37H63NO28/c1-8-15(18(46)25(53)34(58-8)64-31-13(6-42)62-37(28(56)23(31)51)65-30-12(5-41)59-33(57)24(52)21(30)49)38-10-2-9(3-39)29(20(48)16(10)44)63-36-27(55)22(50)32(14(7-43)61-36)66-35-26(54)19(47)17(45)11(4-40)60-35/h2,8,10-57H,3-7H2,1H3/t8-,10+,11-,12-,13-,14-,15-,16+,17-,18+,19+,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33+,34-,35-,36-,37-/m1/s1
;
AAO InChIKey         InChI                1.02b HAWINQMQXQMONI-OBPZNAFQBT 
AAO SMILES_CANONICAL CACTVS               3.341 
C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@@H]2CO)O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]3CO)[C@H](O)[C@@H](O)[C@@H]1N[C@H]4C=C(CO)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O 
AAO SMILES           CACTVS               3.341 C[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O[CH]2CO)O[CH]3[CH](O)[CH](O)[CH](O)O[CH]3CO)[CH](O)[CH](O)[CH]1N[CH]4C=C(CO)[CH](O[CH]5O[CH](CO)[CH](O[CH]6O[CH](CO)[CH](O)[CH](O)[CH]6O)[CH](O)[CH]5O)[CH](O)[CH]4O 
AAO SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 
C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)CO 
AAO SMILES           "OpenEye OEToolkits" 1.5.0 CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)O)CO)CO)O)O)NC4C=C(C(C(C4O)O)OC5C(C(C(C(O5)CO)OC6C(C(C(C(O6)CO)O)O)O)O)O)CO 
# 
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 
AAO "SYSTEMATIC NAME" ACDLabs              10.04 
4,6-dideoxy-4-{[(1S,4R,5R,6S)-4-[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranose 
AAO "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 
;(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-6-[[(1R,4S,5S,6R)-4-[[(2R,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-oxan-3-yl]oxy-4,5-dihydroxy-2-methyl-oxan-3-yl]amino]-5,6-dihydroxy-2-(hydroxymethyl)-1-cyclohex-2-enyl]oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
;
# 
