synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD110324 | 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 |
|
GD110315 | 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 |
|
GD112060 | 3.68 | 647.43 | C29H27O12Br | CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c(=O)c(-c4ccc(Br)cc4)coc3c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD112056 | 3.68 | 647.43 | C29H27O12Br | CC(=O)OC[C@H]1O[C@H](Oc2ccc3c(=O)c(-c4ccc(Br)cc4)coc3c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD110320 | 2.92 | 568.53 | C29H28O12 | CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c(=O)c(-c4ccccc4)coc3c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD110322 | 2.92 | 568.53 | C29H28O12 | CC(=O)OC[C@H]1O[C@H](Oc2ccc3c(=O)c(-c4ccccc4)coc3c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD111228 | 3.06 | 586.52 | C29H27O12F | CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c(=O)c(-c4ccccc4F)coc3c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD111225 | 3.06 | 586.52 | C29H27O12F | CC(=O)OC[C@H]1O[C@H](Oc2ccc3c(=O)c(-c4ccccc4F)coc3c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD112059 | 3.78 | 633.61 | C33H31O12N | CC(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc5ccccc5n4)c(C)oc3c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD112058 | 3.78 | 633.61 | C33H31O12N | CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc5ccccc5n4)c(C)oc3c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |