synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD112061 | 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 |
|
GD112057 | 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 |
|
GD111230 | 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 |
|
GD111233 | 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 |
|
GD111224 | 3.06 | 614.56 | C30H30O14 | COc1ccc(Oc2coc3cc(O[C@@H]4O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]4OC(C)=O)ccc3c2=O)cc1 |
|
GD111227 | 3.06 | 614.56 | C30H30O14 | COc1ccc(Oc2coc3cc(O[C@H]4O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]4OC(C)=O)ccc3c2=O)cc1 |
|
GD111232 | 3.06 | 614.56 | C30H30O14 | COc1ccc(Oc2coc3cc(O[C@@H]4O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]4OC(C)=O)ccc3c2=O)cc1 |
|
GD111222 | 3.06 | 614.56 | C30H30O14 | COc1ccc(Oc2coc3cc(O[C@H]4O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]4OC(C)=O)ccc3c2=O)cc1 |
|
GD110312 | 2.69 | 589.58 | C27H27O12NS | CC(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(=O)c(-c4nc(C)cs4)coc3c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD110319 | 2.69 | 589.58 | C27H27O12NS | CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(=O)c(-c4nc(C)cs4)coc3c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |