data_NGP
# 
_chem_comp.id                                    NGP 
_chem_comp.name                                  "NOGALAMYCIN (PROTONATED FORM)" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C39 H52 N O16" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    1 
_chem_comp.pdbx_initial_date                     2002-02-21 
_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                        790.827 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     NGP 
_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        ? 
_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 
NGP C1    C1   C 0 1 Y N N 25.875 12.076 25.586 -4.509 -0.051 0.863  C1    NGP 1   
NGP C2    C2   C 0 1 Y N N 25.080 11.023 26.109 -5.187 -1.225 1.164  C2    NGP 2   
NGP C3    C3   C 0 1 Y N N 23.692 11.181 26.257 -4.510 -2.423 1.275  C3    NGP 3   
NGP C4    C4   C 0 1 Y N N 23.066 12.367 25.840 -3.131 -2.485 1.092  C4    NGP 4   
NGP C5    C5   C 0 1 N N N 23.202 14.637 24.872 -0.963 -1.329 0.616  C5    NGP 5   
NGP C6    C6   C 0 1 N N N 23.345 16.865 23.813 1.007  -0.269 -0.216 C6    NGP 6   
NGP C7    C7   C 0 1 N N S 23.355 19.023 22.580 3.177  0.860  -0.519 C7    NGP 7   
NGP C8    C8   C 0 1 N N N 24.153 20.009 21.791 3.853  2.195  -0.808 C8    NGP 8   
NGP C9    C9   C 0 1 N N S 25.643 20.060 22.153 3.148  3.288  0.001  C9    NGP 9   
NGP C10   C10  C 0 1 N N R 26.280 18.677 22.164 1.744  3.478  -0.567 C10   NGP 10  
NGP C11   C11  C 0 1 N N N 26.116 16.540 23.491 -0.288 2.184  -0.458 C11   NGP 11  
NGP C12   C12  C 0 1 N N N 26.018 14.379 24.665 -2.356 1.107  0.322  C12   NGP 12  
NGP C13   C13  C 0 1 N N N 25.882 20.731 23.508 3.930  4.598  -0.113 C13   NGP 13  
NGP C14   C14  C 0 1 N N N 26.600 18.150 20.771 0.973  4.422  0.319  C14   NGP 14  
NGP C15   C15  C 0 1 N N N 28.210 16.994 19.409 -0.624 6.214  0.632  C15   NGP 15  
NGP C16   C16  C 0 1 Y N N 25.255 13.301 25.199 -3.125 -0.099 0.665  C16   NGP 16  
NGP C17   C17  C 0 1 Y N N 23.839 13.440 25.310 -2.429 -1.322 0.791  C17   NGP 17  
NGP C18   C18  C 0 1 N N N 23.960 15.675 24.273 -0.326 -0.243 -0.033 C18   NGP 18  
NGP C19   C19  C 0 1 N N S 24.095 17.828 23.119 1.711  0.868  -0.920 C19   NGP 19  
NGP C20   C20  C 0 1 N N N 25.474 17.652 22.926 1.016  2.160  -0.639 C20   NGP 20  
NGP C21   C21  C 0 1 N N S 25.366 15.532 24.148 -1.119 0.936  -0.533 C21   NGP 21  
NGP C22   C22  C 0 1 N N N 25.120 8.469  26.024 -7.090 -2.121 2.527  C22   NGP 22  
NGP C23   C23  C 0 1 N N N 27.949 9.313  30.193 -8.840 -0.827 -2.268 C23   NGP 23  
NGP C24   C24  C 0 1 N N N 28.319 11.541 30.357 -6.785 -0.462 -3.449 C24   NGP 24  
NGP C25   C25  C 0 1 N N N 21.543 23.765 21.991 6.032  -0.540 2.014  C25   NGP 25  
NGP C26   C26  C 0 1 N N N 20.931 25.166 25.445 9.571  -0.241 -0.539 C26   NGP 26  
NGP C27   C27  C 0 1 N N N 20.435 21.003 27.443 7.181  -3.486 1.791  C27   NGP 27  
NGP C28   C28  C 0 1 N N N 22.813 21.627 25.791 7.491  -3.456 -0.874 C28   NGP 28  
NGP C29   C29  C 0 1 N N N 18.717 19.463 24.548 4.070  -2.641 -2.599 C29   NGP 29  
NGP C30   C30  C 0 1 N N S 27.787 10.824 26.159 -6.532 0.970  0.640  C30   NGP 30  
NGP C31   C31  C 0 1 N N S 27.992 11.207 27.622 -6.995 0.627  -0.762 C31   NGP 31  
NGP C32   C32  C 0 1 N N R 26.844 10.868 28.575 -6.756 -0.840 -1.081 C32   NGP 32  
NGP C33   C33  C 0 1 N N R 26.043 9.677  28.069 -7.341 -1.682 0.063  C33   NGP 33  
NGP C34   C34  C 0 1 N N R 25.769 9.742  26.551 -6.684 -1.207 1.369  C34   NGP 34  
NGP "C1'" C1*  C 0 1 N N R 21.544 20.333 23.408 4.906  -0.644 -0.406 "C1'" NGP 35  
NGP "C2'" C2*  C 0 1 N N R 20.796 20.591 24.691 5.587  -1.841 -1.075 "C2'" NGP 36  
NGP "C3'" C3*  C 0 1 N N R 21.347 21.855 25.380 6.696  -2.366 -0.152 "C3'" NGP 37  
NGP "C4'" C4*  C 0 1 N N S 21.223 23.050 24.400 7.625  -1.200 0.206  "C4'" NGP 38  
NGP "C5'" C5*  C 0 1 N N S 21.887 22.710 23.047 6.790  -0.052 0.777  "C5'" NGP 39  
NGP N1    N1   N 1 1 N N N 27.272 10.614 29.987 -7.420 -1.192 -2.343 N1    NGP 40  
NGP O1    O1   O 0 1 N N N 27.219 11.839 25.360 -5.143 1.137  0.760  O1    NGP 41  
NGP O2    O2   O 0 1 N N N 27.037 9.653  25.945 -7.099 0.134  1.629  O2    NGP 42  
NGP O4    O4   O 0 1 N N N 21.710 12.419 25.937 -2.478 -3.670 1.204  O4    NGP 43  
NGP O5    O5   O 0 1 N N N 21.982 14.746 24.988 -0.303 -2.263 1.033  O5    NGP 44  
NGP O6    O6   O 0 1 N N N 22.045 17.177 24.074 1.722  -1.323 0.225  O6    NGP 45  
NGP O7    O7   O 0 1 N N N 22.811 19.748 23.678 3.852  -0.169 -1.246 O7    NGP 46  
NGP O9    O9   O 0 1 N N N 26.340 20.796 21.194 3.064  2.895  1.372  O9    NGP 47  
NGP O10   O10  O 0 1 N N N 27.936 17.873 20.511 0.118  5.304  -0.222 O10   NGP 48  
NGP O14   O14  O 0 1 N N N 25.712 17.967 19.933 1.124  4.385  1.518  O14   NGP 49  
NGP O12   O12  O 0 1 N N N 27.247 14.337 24.627 -2.701 2.202  0.713  O12   NGP 50  
NGP O15   O15  O 0 1 N N N 28.295 12.585 27.751 -6.275 1.434  -1.695 O15   NGP 51  
NGP O16   O16  O 0 1 N N N 24.883 9.559  28.874 -7.051 -3.064 -0.152 O16   NGP 52  
NGP "O1'" O1*  O 0 1 N N N 21.461 21.455 22.531 5.856  0.400  -0.202 "O1'" NGP 53  
NGP "O2'" O2*  O 0 1 N N N 19.398 20.700 24.412 4.625  -2.872 -1.303 "O2'" NGP 54  
NGP "O3'" O3*  O 0 1 N N N 20.575 22.119 26.562 6.116  -2.901 1.039  "O3'" NGP 55  
NGP "O4'" O4*  O 0 1 N N N 21.850 24.225 24.922 8.309  -0.756 -0.967 "O4'" NGP 56  
NGP H3    H3   H 0 1 N N N 23.082 10.396 26.675 -5.057 -3.325 1.508  H3    NGP 57  
NGP H7    H7   H 0 1 N N N 22.553 18.655 21.936 3.252  0.648  0.547  H7    NGP 58  
NGP H81   1H8  H 0 1 N N N 24.005 19.783 20.745 4.902  2.143  -0.516 H81   NGP 59  
NGP H82   2H8  H 0 1 N N N 23.636 20.922 22.028 3.777  2.420  -1.871 H82   NGP 60  
NGP H10   H10  H 0 1 N N N 27.232 18.779 22.679 1.815  3.903  -1.568 H10   NGP 61  
NGP H11   H11  H 0 1 N N N 27.194 16.446 23.362 -0.773 3.126  -0.249 H11   NGP 62  
NGP H131  1H13 H 0 0 N N N 25.419 20.155 24.309 3.984  4.900  -1.159 H131  NGP 63  
NGP H132  2H13 H 0 0 N N N 25.470 21.739 23.503 3.426  5.374  0.463  H132  NGP 64  
NGP H133  3H13 H 0 0 N N N 26.952 20.786 23.703 4.938  4.454  0.276  H133  NGP 65  
NGP H151  1H15 H 0 0 N N N 27.877 17.421 18.467 -1.262 6.850  0.018  H151  NGP 66  
NGP H152  2H15 H 0 0 N N N 29.283 16.812 19.370 -1.241 5.641  1.324  H152  NGP 67  
NGP H153  3H15 H 0 0 N N N 27.798 15.984 19.569 0.073  6.834  1.195  H153  NGP 68  
NGP H119  19H1 H 0 0 N N N 25.129 18.245 23.150 1.654  0.686  -1.993 H119  NGP 69  
NGP H221  21H2 H 0 0 N N N 25.683 15.454 25.214 -1.415 0.760  -1.567 H221  NGP 70  
NGP H22A  1H22 H 0 0 N N N 25.763 7.624  26.262 -8.174 -2.099 2.644  H22A  NGP 71  
NGP H222  2H22 H 0 0 N N N 25.050 8.554  24.941 -6.768 -3.141 2.316  H222  NGP 72  
NGP H223  3H22 H 0 0 N N N 24.131 8.326  26.454 -6.618 -1.774 3.446  H223  NGP 73  
NGP H231  1H23 H 0 0 N N N 28.701 9.193  29.407 -8.936 0.259  -2.236 H231  NGP 74  
NGP H232  2H23 H 0 0 N N N 27.224 8.503  30.122 -9.362 -1.212 -3.144 H232  NGP 75  
NGP H233  3H23 H 0 0 N N N 28.424 9.277  31.173 -9.278 -1.256 -1.367 H233  NGP 76  
NGP H241  1H24 H 0 0 N N N 28.627 11.377 31.382 -5.702 -0.568 -3.381 H241  NGP 77  
NGP H242  2H24 H 0 0 N N N 27.963 12.553 30.184 -7.130 -0.871 -4.399 H242  NGP 78  
NGP H243  3H24 H 0 0 N N N 29.120 11.310 29.654 -7.051 0.593  -3.389 H243  NGP 79  
NGP H251  1H25 H 0 0 N N N 20.470 23.773 21.806 6.745  -0.869 2.770  H251  NGP 80  
NGP H252  2H25 H 0 0 N N N 22.064 23.530 21.063 5.427  0.273  2.413  H252  NGP 81  
NGP H253  3H25 H 0 0 N N N 21.852 24.752 22.334 5.385  -1.373 1.738  H253  NGP 82  
NGP H261  1H26 H 0 0 N N N 20.317 24.724 26.231 10.132 0.112  -1.405 H261  NGP 83  
NGP H262  2H26 H 0 0 N N N 20.298 25.534 24.637 9.411  0.587  0.151  H262  NGP 84  
NGP H263  3H26 H 0 0 N N N 21.494 26.000 25.862 10.134 -1.028 -0.038 H263  NGP 85  
NGP H271  1H27 H 0 0 N N N 21.407 20.603 27.719 7.892  -2.711 2.077  H271  NGP 86  
NGP H272  2H27 H 0 0 N N N 19.900 20.209 26.913 6.777  -3.958 2.686  H272  NGP 87  
NGP H273  3H27 H 0 0 N N N 19.908 21.297 28.351 7.686  -4.236 1.181  H273  NGP 88  
NGP H281  1H28 H 0 0 N N N 23.095 22.372 26.528 7.796  -3.093 -1.856 H281  NGP 89  
NGP H282  2H28 H 0 0 N N N 23.485 21.703 24.935 8.375  -3.708 -0.289 H282  NGP 90  
NGP H283  3H28 H 0 0 N N N 22.919 20.613 26.179 6.868  -4.342 -0.992 H283  NGP 91  
NGP H291  1H29 H 0 0 N N N 17.705 19.585 24.171 3.327  -3.407 -2.819 H291  NGP 92  
NGP H292  2H29 H 0 0 N N N 19.230 18.689 23.975 3.597  -1.659 -2.622 H292  NGP 93  
NGP H293  3H29 H 0 0 N N N 18.666 19.161 25.592 4.863  -2.679 -3.346 H293  NGP 94  
NGP H30   H30  H 0 1 N N N 28.783 10.593 25.865 -6.950 1.957  0.837  H30   NGP 95  
NGP H31   H31  H 0 1 N N N 28.845 10.637 27.941 -8.060 0.843  -0.847 H31   NGP 96  
NGP H32   H32  H 0 1 N N N 26.238 11.752 28.512 -5.685 -1.029 -1.164 H32   NGP 97  
NGP H33   H33  H 0 1 N N N 26.719 8.852  28.246 -8.420 -1.535 0.116  H33   NGP 98  
NGP "H1'" H1*  H 0 1 N N N 21.019 19.552 22.945 4.493  -0.952 0.554  "H1'" NGP 99  
NGP "H2'" H2*  H 0 1 N N N 20.990 19.723 25.324 6.020  -1.530 -2.025 "H2'" NGP 100 
NGP "H4'" H4*  H 0 1 N N N 20.164 23.227 24.209 8.351  -1.528 0.950  "H4'" NGP 101 
NGP "H5'" H5*  H 0 1 N N N 22.970 22.705 23.169 7.448  0.770  1.057  "H5'" NGP 102 
NGP HN1   HN1  H 0 1 N N N 26.477 10.704 30.614 -7.335 -2.184 -2.503 HN1   NGP 103 
NGP HO4   HO4  H 0 1 N N N 21.457 13.321 25.656 -2.471 -4.070 0.324  HO4   NGP 104 
NGP HO6   HO6  H 0 1 N N N 22.041 18.098 24.362 1.931  -2.051 -0.377 HO6   NGP 105 
NGP HO9   HO9  H 0 1 N N N 26.101 21.741 21.287 3.971  2.772  1.683  HO9   NGP 106 
NGP H15   H15  H 0 1 N N N 28.956 12.854 27.082 -6.451 2.356  -1.461 H15   NGP 107 
NGP H16   H16  H 0 1 N N N 24.609 8.618  28.904 -7.411 -3.547 0.604  H16   NGP 108 
# 
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 
NGP C1    C2    DOUB Y N 1   
NGP C1    C16   SING Y N 2   
NGP C1    O1    SING N N 3   
NGP C2    C3    SING Y N 4   
NGP C2    C34   SING N N 5   
NGP C3    C4    DOUB Y N 6   
NGP C3    H3    SING N N 7   
NGP C4    C17   SING Y N 8   
NGP C4    O4    SING N N 9   
NGP C5    C17   SING N N 10  
NGP C5    C18   SING N N 11  
NGP C5    O5    DOUB N N 12  
NGP C6    C18   DOUB N N 13  
NGP C6    C19   SING N N 14  
NGP C6    O6    SING N N 15  
NGP C7    C8    SING N N 16  
NGP C7    C19   SING N N 17  
NGP C7    O7    SING N N 18  
NGP C7    H7    SING N N 19  
NGP C8    C9    SING N N 20  
NGP C8    H81   SING N N 21  
NGP C8    H82   SING N N 22  
NGP C9    C10   SING N N 23  
NGP C9    C13   SING N N 24  
NGP C9    O9    SING N N 25  
NGP C10   C14   SING N N 26  
NGP C10   C20   SING N N 27  
NGP C10   H10   SING N N 28  
NGP C11   C20   DOUB N N 29  
NGP C11   C21   SING N N 30  
NGP C11   H11   SING N N 31  
NGP C12   C16   SING N N 32  
NGP C12   C21   SING N N 33  
NGP C12   O12   DOUB N N 34  
NGP C13   H131  SING N N 35  
NGP C13   H132  SING N N 36  
NGP C13   H133  SING N N 37  
NGP C14   O10   SING N N 38  
NGP C14   O14   DOUB N N 39  
NGP C15   O10   SING N N 40  
NGP C15   H151  SING N N 41  
NGP C15   H152  SING N N 42  
NGP C15   H153  SING N N 43  
NGP C16   C17   DOUB Y N 44  
NGP C18   C21   SING N N 45  
NGP C19   C20   SING N N 46  
NGP C19   H119  SING N N 47  
NGP C21   H221  SING N N 48  
NGP C22   C34   SING N N 49  
NGP C22   H22A  SING N N 50  
NGP C22   H222  SING N N 51  
NGP C22   H223  SING N N 52  
NGP C23   N1    SING N N 53  
NGP C23   H231  SING N N 54  
NGP C23   H232  SING N N 55  
NGP C23   H233  SING N N 56  
NGP C24   N1    SING N N 57  
NGP C24   H241  SING N N 58  
NGP C24   H242  SING N N 59  
NGP C24   H243  SING N N 60  
NGP C25   "C5'" SING N N 61  
NGP C25   H251  SING N N 62  
NGP C25   H252  SING N N 63  
NGP C25   H253  SING N N 64  
NGP C26   "O4'" SING N N 65  
NGP C26   H261  SING N N 66  
NGP C26   H262  SING N N 67  
NGP C26   H263  SING N N 68  
NGP C27   "O3'" SING N N 69  
NGP C27   H271  SING N N 70  
NGP C27   H272  SING N N 71  
NGP C27   H273  SING N N 72  
NGP C28   "C3'" SING N N 73  
NGP C28   H281  SING N N 74  
NGP C28   H282  SING N N 75  
NGP C28   H283  SING N N 76  
NGP C29   "O2'" SING N N 77  
NGP C29   H291  SING N N 78  
NGP C29   H292  SING N N 79  
NGP C29   H293  SING N N 80  
NGP C30   C31   SING N N 81  
NGP C30   O1    SING N N 82  
NGP C30   O2    SING N N 83  
NGP C30   H30   SING N N 84  
NGP C31   C32   SING N N 85  
NGP C31   O15   SING N N 86  
NGP C31   H31   SING N N 87  
NGP C32   C33   SING N N 88  
NGP C32   N1    SING N N 89  
NGP C32   H32   SING N N 90  
NGP C33   C34   SING N N 91  
NGP C33   O16   SING N N 92  
NGP C33   H33   SING N N 93  
NGP C34   O2    SING N N 94  
NGP "C1'" "C2'" SING N N 95  
NGP "C1'" O7    SING N N 96  
NGP "C1'" "O1'" SING N N 97  
NGP "C1'" "H1'" SING N N 98  
NGP "C2'" "C3'" SING N N 99  
NGP "C2'" "O2'" SING N N 100 
NGP "C2'" "H2'" SING N N 101 
NGP "C3'" "C4'" SING N N 102 
NGP "C3'" "O3'" SING N N 103 
NGP "C4'" "C5'" SING N N 104 
NGP "C4'" "O4'" SING N N 105 
NGP "C4'" "H4'" SING N N 106 
NGP "C5'" "O1'" SING N N 107 
NGP "C5'" "H5'" SING N N 108 
NGP N1    HN1   SING N N 109 
NGP O4    HO4   SING N N 110 
NGP O6    HO6   SING N N 111 
NGP O9    HO9   SING N N 112 
NGP O15   H15   SING N N 113 
NGP O16   H16   SING N N 114 
# 
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 
NGP SMILES           ACDLabs              10.04 O=C(OC)C3C1=CC7C(=C(O)C1C(OC2OC(C)C(OC)C(OC)(C)C2OC)CC3(O)C)C(=O)c6c(O)cc4c(OC5OC4(C(O)C(C5O)[NH+](C)C)C)c6C7=O 
NGP InChI            InChI                1.02b 
;InChI=1/C39H51NO16/c1-14-32(49-7)39(4,52-10)33(50-8)36(53-14)54-19-13-37(2,48)24(34(47)51-9)15-11-16-21(27(43)20(15)19)28(44)22-18(41)12-17-30(23(22)26(16)42)55-35-29(45)25(40(5)6)31(46)38(17,3)56-35/h11-12,14,16,19-20,24-25,29,31-33,35-36,41,43,45-46,48H,13H2,1-10H3/p+1/t14-,16-,19-,20-,24-,25-,29-,31+,32-,33-,35+,36-,37-,38+,39+/m0/s1/fC39H52NO16/h40H/q+1
;
NGP InChIKey         InChI                1.02b NXHOGSUAUGLOER-FSYBQLJKDB 
NGP SMILES_CANONICAL CACTVS               3.341 CO[C@H]1[C@H](C)O[C@@H](O[C@H]2C[C@](C)(O)[C@H](C(=O)OC)C3=C[C@@H]4C(=O)c5c6O[C@@H]7O[C@@](C)([C@H](O)[C@H]([C@@H]7O)[NH+](C)C)c6cc(O)c5C(=O)C4=C(O)[C@H]23)[C@H](OC)[C@]1(C)OC 
NGP SMILES           CACTVS               3.341 CO[CH]1[CH](C)O[CH](O[CH]2C[C](C)(O)[CH](C(=O)OC)C3=C[CH]4C(=O)c5c6O[CH]7O[C](C)([CH](O)[CH]([CH]7O)[NH+](C)C)c6cc(O)c5C(=O)C4=C(O)[CH]23)[CH](OC)[C]1(C)OC 
NGP SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 C[C@H]1[C@@H]([C@@]([C@H]([C@@H](O1)O[C@H]2C[C@]([C@@H](C3=CC4C(=O)c5c(c(cc6c5O[C@H]7[C@H]([C@@H]([C@H]([C@@]6(O7)C)O)[NH+](C)C)O)O)C(=O)C4=C(C23)O)C(=O)OC)(C)O)OC)(C)OC)OC 
NGP SMILES           "OpenEye OEToolkits" 1.5.0 CC1C(C(C(C(O1)OC2CC(C(C3=CC4C(=O)c5c(c(cc6c5OC7C(C(C(C6(O7)C)O)[NH+](C)C)O)O)C(=O)C4=C(C23)O)C(=O)OC)(C)O)OC)(C)OC)OC 
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_pdbx_chem_comp_identifier.comp_id           NGP 
_pdbx_chem_comp_identifier.type              "SYSTEMATIC NAME" 
_pdbx_chem_comp_identifier.program           ACDLabs 
_pdbx_chem_comp_identifier.program_version   10.04 
_pdbx_chem_comp_identifier.identifier        
;(2R,3S,4R,5R,6R,10aS,11S,13S,14R,15aS)-11-[(6-deoxy-3-C-methyl-2,3,4-tri-O-methyl-alpha-L-mannopyranosyl)oxy]-3,5,8,10,13-pentahydroxy-14-(methoxycarbonyl)-N,N,6,13-tetramethyl-9,16-dioxo-3,4,5,6,9,10a,11,12,13,14,15a,16-dodecahydro-2H-2,6-epoxytetraceno[1,2-b]oxocin-4-aminium
;
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