natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD009616 | 2.33 | 762.89 | C40H58O14 | C=C(C(=O)C[C@H](C)C1=C(O)C(=O)[C@@H]2C3=C(CC[C@]12C)[C@]1(C)CC[C@H](O[C@@H]2O[C@H](C(=O)OC)[C@H](O)[C@H](O[C@@H]4OC[C@H](O)[C@H](O)[C@H]4O)[C@H]2O)C[C@H]1CC3)C(C)C |
|
GD009617 | 1.37 | 768.89 | C39H60O15 | CC(C)CC(=O)C[C@H](C)C1=C(O)C(=O)[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O[C@@H]5O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)CC[C@@]4(C)[C@H]3CC[C@]12C |
|
GD009669 | 0.06 | 387.4 | C18H21O5N5 | COc1ccccc1CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O |
|
GD009671 | -1.94 | 738.69 | C34H42O18 | COc1cc([C@@H]2c3cc4c(cc3[C@H](O[C@@H]3O[C@H](CO[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H](O)[C@H]3O)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC |
|
GD009681 | 1.79 | 733.94 | C37H67O13N | CCC1OC(=O)C(C)[C@H](O[C@@H]2C[C@@](C)(OC)C(O)C(C)O2)C(C)[C@H](O[C@@H]2OC(C)CC(N(C)C)C2O)[C@@](C)(O)CC(C)C(=O)[C@H](C)C(O)[C@]1(C)O |
|
GD009685 | 0.45 | 370.44 | C19H30O7 | CC1=CC(=O)CC(C)(C)C1=CCC(C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |
|
GD009693 | 4.49 | 618.85 | C36H58O8 | CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2C1 |
|
GD009695 | -0.75 | 452.37 | C20H20O12 | COc1cc2c(=O)c3c(O)c(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)c(O)cc3oc2cc1O |
|
GD009702 | -4.95 | 438.38 | C17H26O13 | COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]2[C@]1(O)[C@@H](O)[C@@H](O)[C@]2(C)O |
|
GD009718 | -0.15 | 450.4 | C21H22O11 | COc1cc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c2c(=O)c3c(OC)c(O)ccc3oc2c1 |