synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD111412 | 3.3 | 798.93 | C34H38O14S4 | Cc1ccc(S(=O)(=O)OC[C@H](OS(=O)(=O)c2ccc(C)cc2)[C@@H](O)[C@@H](O)[C@H](COS(=O)(=O)c2ccc(C)cc2)OS(=O)(=O)c2ccc(C)cc2)cc1 |
|
GD111413 | 3.3 | 798.93 | C34H38O14S4 | Cc1ccc(S(=O)(=O)OC[C@H](OS(=O)(=O)c2ccc(C)cc2)[C@H](O)[C@@H](O)[C@H](COS(=O)(=O)c2ccc(C)cc2)OS(=O)(=O)c2ccc(C)cc2)cc1 |
|
GD112053 | 3.52 | 654.62 | C33H34O14 | CCc1cc2c(=O)c(-c3ccc4c(c3)OCO4)c(C)oc2cc1O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD113154 | 7.07 | 688.86 | C38H40O8S2 | CCSC(SCC)[C@H](O)[C@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)[C@H](COCc1ccccc1)OC(=O)c1ccccc1 |
|
GD110301 | 2.56 | 647.61 | C29H29O14NS | CCOC(=O)c1oc2cc(O[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)ccc2c(=O)c1-c1cscn1 |
|
GD112675 | 4.84 | 677.64 | C37H28O9N3F | O=C(Nc1nc(=O)n([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)cc1F)c1ccccc1 |
|
GD113156 | 8.04 | 748.83 | C47H40O9 | CO[C@@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 |
|
GD113157 | 8.04 | 748.83 | C47H40O9 | CO[C@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 |
|
GD110410 | -0.04 | 656.77 | C35H48O10N2 | C[C@H]1CCCC[N@H+]1Cc1c(O)c(C[N@@H+]2CCCC[C@H]2C)c2occ(-c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)c(=O)c2c1O |
|
GD113155 | 7.9 | 630.78 | C41H42O6 | c1ccc(COC[C@H]2O[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1 |