natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD110801 | 3.12 | 620.82 | C35H56O9 | C[C@@H]1C[C@H]2O[C@]3(C[C@@]4(C)[C@@H]5[C@H](O)C[C@@H]6C(C)(C)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)CC[C@@]67C[C@@]57CC[C@]4(C)[C@@H]13)O[C@H]2C(C)(C)O |
|
GD110809 | 3.11 | 524.56 | C26H36O11 | CCCCCCOc1ccc(O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1 |
|
GD110811 | 3.08 | 640.59 | C32H32O14 | CC(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCCO5)coc3c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD110818 | 3.08 | 640.59 | C32H32O14 | CC(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCCO5)coc3c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD110819 | 3.04 | 637.43 | C28H29O12Br | CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccc(Br)cc3)c(O)c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD110822 | 3.3 | 633.65 | C34H35O11N | CC(=O)OC[C@@H]1O[C@H](OC(=O)Cc2ccccc2)[C@H](NC(=O)c2ccc(OCc3ccccc3)cc2)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD110823 | 3.3 | 633.65 | C34H35O11N | CC(=O)OC[C@@H]1O[C@H](OC(=O)Cc2ccccc2)[C@H](NC(=O)c2ccc(OCc3ccccc3)cc2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD110824 | 3.3 | 633.65 | C34H35O11N | CC(=O)OC[C@@H]1O[C@H](OC(=O)Cc2ccccc2)[C@H](NC(=O)c2ccc(OCc3ccccc3)cc2)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD110825 | 3.3 | 633.65 | C34H35O11N | CC(=O)OC[C@@H]1O[C@H](OC(=O)Cc2ccccc2)[C@H](NC(=O)c2ccc(OCc3ccccc3)cc2)[C@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD110826 | 3.11 | 524.56 | C26H36O11 | CCCCCCOc1ccc(O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)cc1 |