synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD110816 | 3.26 | 640.67 | C31H32O11N2S | COc1ccc(/C=C2/N=C(S[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)N(c3ccccc3)C2=O)cc1 |
|
GD111411 | 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 |
|
GD111553 | 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 |
|
GD111551 | 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 |
|
GD111552 | 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 |
|
GD113983 | 6.37 | 721.87 | C42H43O8NS | CC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](OS(C)(=O)=O)[C@@H]1OCc1ccccc1 |
|
GD113982 | 6.37 | 721.87 | C42H43O8NS | CC(=O)N[C@@H]1[C@@H](OCc2ccccc2)O[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](OS(C)(=O)=O)[C@@H]1OCc1ccccc1 |
|
GD112052 | 3.5 | 702.8 | C40H46O11 | OC[C@@H]1O[C@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](OCc3ccccc3)[C@H]2OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1O |
|
GD110817 | 3.32 | 646.7 | C29H30O11N2S2 | COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2S[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)cc1 |
|
GD113984 | 5.97 | 752.82 | C42H44O11N2 | CCCCCCCCOC(=O)/C=C/c1c(C)[nH]c(=O)n([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)c1=O |