natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD007238 | 1.72 | 752.59 | C35H28O19 | O=C(OC[C@@H]1O[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1 |
|
GD007239 | -1.12 | 342.34 | C16H22O8 | COc1cc(C=CCO)ccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |
|
GD007240 | -0.09 | 522.55 | C26H34O11 | COc1cc(CC(CO)c2cc(C=CCO)cc(OC)c2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1O |
|
GD007241 | 1.82 | 562.66 | C30H42O10 | COC(=O)[C@]1(O)C[C@H](C)O[C@H]1O[C@@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](C5=CC(=O)OC5)CC[C@]34O)[C@@]2(C=O)C[C@H]1O |
|
GD007264 | 0.02 | 522.55 | C26H34O11 | COc1cc([C@@H]2Oc3c(OC)cc(CCCO)cc3[C@H]2CO)ccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |
|
GD007278 | -1.53 | 508.39 | C22H20O14 | Cc1c(C(=O)O)c(O)cc2c1C(=O)c1c(O)c(O[C@@H]3OC(CO)C(O)C(O)C3O)c(O)c(O)c1C2=O |
|
GD007279 | -2.87 | 530.48 | C23H30O14 | COc1cc(C=CC(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@H](O)[C@H]2O)ccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |
|
GD007280 | 2.71 | 652.87 | C36H60O10 | C[C@H](CC[C@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)[C@@H]3C[C@@H]4O[C@]45[C@H](CC[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)C5(C)C)[C@@]3(C)C(=O)C[C@]12C |
|
GD007283 | -2.58 | 150.13 | C5H10O5 | OC[C@@H]1OC(O)[C@H](O)[C@H]1O |
|
GD007288 | -1.98 | 267.25 | C10H13O4N5 | Nc1ncnc2c1ncn2C1OC(CO)C(O)C1O |