synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD111158 | 3.04 | 637.43 | C28H29O12Br | CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccc(Br)cc3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD108386 | 1.03 | 725.7 | C33H43O17N | CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](Nc3ccc(C)cc3)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD107280 | 0.72 | 711.67 | C32H41O17N | CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](Nc3ccccc3)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD108387 | 1.03 | 725.7 | C33H43O17N | CC(=O)OC[C@H]1O[C@H](OC[C@H]2O[C@@H](Nc3ccc(C)cc3)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD110270 | 2.89 | 697.61 | C32H34O13NF3 | C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC[C@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCO5)c(C(F)(F)F)oc3c2)[C@@H](O)[C@@H](O)[C@@H]1O |
|
GD109998 | 2.89 | 697.61 | C32H34O13NF3 | C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCO5)c(C(F)(F)F)oc3c2)[C@@H](O)[C@@H](O)[C@@H]1O |
|
GD110269 | 2.89 | 697.61 | C32H34O13NF3 | C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC[C@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCO5)c(C(F)(F)F)oc3c2)[C@@H](O)[C@H](O)[C@@H]1O |
|
GD109999 | 2.89 | 697.61 | C32H34O13NF3 | C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCO5)c(C(F)(F)F)oc3c2)[C@@H](O)[C@H](O)[C@@H]1O |
|
GD111172 | 3.1 | 705.71 | C37H39O13N | CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)OC[C@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCO5)coc3c2)[C@@H](O)[C@@H](O)[C@@H]1O |
|
GD110814 | 3.1 | 705.71 | C37H39O13N | CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCO5)coc3c2)[C@@H](O)[C@@H](O)[C@@H]1O |