synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD105264 | 3.51 | 573.58 | C29H23O8N3S | O=C(OC[C@@H]1O[C@H](n2ncc(=S)[nH]c2=O)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1 |
|
GD105263 | 3.51 | 573.58 | C29H23O8N3S | O=C(OC[C@@H]1O[C@H](n2ncc(=S)[nH]c2=O)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 |
|
GD104773 | 2.32 | 569.52 | C28H27O12N | CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c(=O)c(-c4ccccn4)coc3c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD104772 | 2.32 | 569.52 | C28H27O12N | CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c(=O)c(-c4ccccn4)coc3c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD104774 | 2.32 | 569.52 | C28H27O12N | CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c(=O)c(-c4ccccn4)coc3c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD105203 | 3.07 | 616.62 | C31H36O13 | CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(=O)Cc3ccc(OC(C)C)cc3)c(O)c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD105201 | 3.07 | 616.62 | C31H36O13 | CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(=O)Cc3ccc(OC(C)C)cc3)c(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD105202 | 3.07 | 616.62 | C31H36O13 | CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(=O)Cc3ccc(OC(C)C)cc3)c(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD105002 | 2.57 | 630.6 | C31H34O14 | CCc1c(O[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)ccc(C(=O)Cc2ccc3c(c2)OCO3)c1O |
|
GD105003 | 2.57 | 630.6 | C31H34O14 | CCc1c(O[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)ccc(C(=O)Cc2ccc3c(c2)OCO3)c1O |