natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD006855 | 2.43 | 650.85 | C36H58O10 | C[C@@H]1CC[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)C[C@H](O)[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2[C@]1(C)O |
|
GD006856 | -1.36 | 402.44 | C19H30O9 | CC(=O)C=C[C@@]12O[C@@]1(C)C[C@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C2(C)C |
|
GD006857 | -2.58 | 150.13 | C5H10O5 | O[C@H]1OC[C@@H](O)[C@H](O)[C@H]1O |
|
GD006858 | 3.58 | 432.6 | C26H40O5 | C=C[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](O[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O)CC[C@@]4(C)[C@H]3CC[C@@]12C |
|
GD006861 | -1.97 | 297.27 | C11H15O5N5 | COc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c2n1 |
|
GD006862 | -1.02 | 354.31 | C16H18O9 | COc1cc2oc(=O)ccc2cc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |
|
GD006864 | -0.99 | 344.36 | C16H24O8 | CC(C)=CC1CC=C(CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C(=O)O1 |
|
GD006872 | -0.33 | 284.26 | C13H16O7 | CCOC(=O)[C@H](O)[C@](O)(Cc1ccc(O)cc1)C(=O)O |
|
GD006876 | -0.89 | 418.4 | C21H22O9 | O=C1c2c(O)cccc2C([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c2cc(CO)cc(O)c21 |
|
GD006879 | 5.08 | 646.86 | C37H58O9 | CC(=O)O[C@@H]1C[C@]2(C)C3=CCC4C(C)(C)[C@H](O[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O)CC[C@@]4(C)C3CCC23C(=O)O[C@](C)(CCCC(C)C)[C@H]13 |