natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD022963 | -1.59 | 324.29 | C13H16O6N4 | COC(=O)c1cn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c2ncnc(N)c12 |
|
GD022967 | 3.83 | 660.85 | C37H56O10 | C=C1[C@H](O)C[C@@]23CC[C@@H]4[C@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]5C[C@H](OC5OC(COC(C)=O)C(O)C(O)C5O)[C@@]4(C)C2=CC[C@H]3[C@H]1C |
|
GD022968 | 0.67 | 496.6 | C26H40O9 | CC(CO)c1cc2c(c(O)c1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC2 |
|
GD022970 | -2.24 | 464.51 | C21H36O11 | CC(C)(O)[C@@H]1CC=C(CO[C@@H]2O[C@H](CO[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)CC1 |
|
GD022971 | 3.3 | 638.88 | C36H62O9 | CC(=CCC[C@@](C)(OC1OC(CO)C(O)C(O)C1O)[C@@H]1CC[C@]2(C)[C@H]1CC[C@@H]1[C@]3(C)CC[C@H](O)C(C)(C)[C@H]3C[C@H](O)[C@]12C)CO |
|
GD022972 | -1.43 | 272.25 | C12H16O7 | OC[C@@H]1OC(Oc2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O |
|
GD022975 | -1.65 | 610.52 | C27H30O16 | COc1cc(C=CC(=O)O[C@H](C(=O)O)[C@](O)(Cc2ccc(O)c(O)c2)C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |
|
GD022986 | -0.24 | 448.38 | C21H20O11 | O=c1c(-c2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2O)coc2cc(O)cc(O)c12 |
|
GD022990 | -3.85 | 502.43 | C21H26O14 | O=c1ccc2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c2o1 |
|
GD023000 | -0.12 | 396.39 | C19H24O9 | Cc1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(C=O)c(O)c2c1OC(C)(C)C=C2 |