natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD038883 | 2.93 | 769.84 | C40H51O14N | CC[C@]1(O)C[C@@H](O[C@@H]2C[C@@H](N(C)C)[C@@H](O[C@@H]3C[C@@H](O)[C@@H](O[C@@H]4CCC(=O)[C@@H](C)O4)[C@@H](C)O3)[C@@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1O |
|
GD038886 | -0.89 | 340.41 | C13H20O3N6S | NCCCSC[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O |
|
GD038891 | -1.55 | 564.61 | C20H24O6N10S2 | Nc1ncnc2c1ncn2[C@H]1O[C@H](CSSC[C@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O |
|
GD038900 | 1.98 | 480.6 | C26H40O8 | C=C1CC23CCC4C(C)(CCC[C@]4(C)C(=O)O)C2CCC1(OC1O[C@H](CO)C(O)C(O)[C@@H]1O)C3 |
|
GD038902 | -2.76 | 180.11 | C5H8O7 | O=C(O)[C@H](O)C(O)[C@@H](O)C(=O)O |
|
GD038903 | -1.59 | 214.11 | C5H11O7P | CC(=O)[C@@H](O)[C@@H](O)COP(=O)(O)O |
|
GD038906 | 0.34 | 416.38 | C21H20O9 | O=c1c(-c2ccc(O)cc2)coc2cc(O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)ccc12 |
|
GD038910 | 1.38 | 446.5 | C24H30O8 | C[C@@]12CC[C@@H]3c4ccc(O[C@H]5O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@@H]5O)cc4CC[C@H]3[C@H]1CCC2=O |
|
GD038917 | -0.16 | 436.41 | C21H24O10 | O=C(CCc1ccc(O)cc1)c1c(O)cc(O)c([C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)c1O |
|
GD038948 | -2.57 | 194.18 | C7H14O6 | COC[C@H]1O[C@H](O)[C@H](O)[C@H](O)[C@@H]1O |