synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD106948 | 0.79 | 724.67 | C33H40O18 | COc1ccc(C(=O)O[C@@H]2[C@H](OC(C)=O)OCC(=O)[C@H]3[C@@H]2CCO[C@@H]3O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1 |
|
GD113827 | 6.52 | 798.42 | C41H24O10N2Cl4 | O=C(O[C@@H]1[C@H](COC(=O)c2ccc(Cl)cc2Cl)O[C@@H](n2ccc(=O)n(C(=O)c3ccc(Cl)cc3Cl)c2=O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 |
|
GD113163 | 6.1 | 700.7 | C41H32O11 | O=C(OC[C@@H]1O[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1 |
|
GD113895 | 7.45 | 689.76 | C41H39O9N | O=C(O[C@@H]1O[C@@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1 |
|
GD111208 | 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 |
|
GD112055 | 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 |
|
GD111207 | 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 |
|
GD108177 | 1.65 | 656.64 | C32H36O13N2 | CC(=O)N[C@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1OC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O |
|
GD109008 | 2.08 | 657.63 | C32H35O14N | CC(=O)OC[C@@H]1O[C@@H](OC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD109007 | 2.08 | 657.63 | C32H35O14N | CC(=O)OC[C@H]1O[C@@H](OC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |