natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD108757 | 1.97 | 616.75 | C34H48O10 | CC1=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@H](O)C=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 |
|
GD108760 | 1.05 | 504.44 | C24H24O12 | CC(=O)OC[C@H]1O[C@@H](OC2=CC(=O)c3ccccc3C2=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD108761 | 1.02 | 534.47 | C25H26O13 | COC1=C(O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)C(=O)c2ccccc2C1=O |
|
GD108762 | 1.74 | 550.54 | C25H26O12S | COC1=C(S[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)C(=O)c2ccccc2C1=O |
|
GD108763 | 1.66 | 578.55 | C26H26O13S | CC(=O)OC[C@H]1O[C@@H](SC2=C(OC(C)=O)C(=O)c3ccccc3C2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD108764 | 1.15 | 582.54 | C25H26O14S | COC1=C(S[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)C(=O)c2c(O)ccc(O)c2C1=O |
|
GD108765 | 1.08 | 564.5 | C26H28O14 | CC(=O)OC[C@H]1O[C@@H](OC2=CC(=O)c3c(O)c(C)c(C)c(O)c3C2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD108766 | 1.05 | 504.44 | C24H24O12 | CC(=O)OC[C@H]1O[C@H](OC2=CC(=O)c3ccccc3C2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD108767 | 1.44 | 518.47 | C25H26O12 | CC(=O)OC[C@H]1O[C@@H](OC2=C(C)C(=O)c3ccccc3C2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD108768 | 1.47 | 536.51 | C24H24O12S | CC(=O)OC[C@H]1O[C@H](SC2=CC(=O)c3cccc(O)c3C2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |