natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD104994 | 2.69 | 626.57 | C31H30O14 | CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCO5)coc3c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD104995 | 2.69 | 626.57 | C31H30O14 | CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCO5)coc3c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD104996 | 2.69 | 626.57 | C31H30O14 | CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCO5)coc3c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD104998 | 2.69 | 589.58 | C27H27O12NS | CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c(=O)c(-c4cscn4)c(C)oc3c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD104999 | 2.69 | 589.58 | C27H27O12NS | CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c(=O)c(-c4cscn4)c(C)oc3c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD105000 | 2.69 | 589.58 | C27H27O12NS | CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c(=O)c(-c4cscn4)c(C)oc3c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD105054 | 2.99 | 496.47 | C26H24O10 | CC(=O)O[C@@H]1CO[C@H](Oc2ccc3c(-c4ccccc4)cc(=O)oc3c2)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD105055 | 2.99 | 496.47 | C26H24O10 | CC(=O)O[C@@H]1[C@H](Oc2ccc3c(-c4ccccc4)cc(=O)oc3c2)OC[C@@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD105056 | 2.99 | 496.47 | C26H24O10 | CC(=O)O[C@H]1[C@H](OC(C)=O)CO[C@@H](Oc2ccc3c(-c4ccccc4)cc(=O)oc3c2)[C@@H]1OC(C)=O |
|
GD105098 | 3.01 | 462.45 | C26H22O8 | O=C(O[C@H]1[C@H](OC(=O)c2ccccc2)CO[C@@H](O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 |