synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD100098 | 0.43 | 463.49 | C17H21O10NS2 | CC(=O)OC[C@@H]1O[C@@H](SC2=NC(=O)CS2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD099970 | 0.43 | 463.49 | C17H21O10NS2 | CC(=O)OC[C@H]1O[C@@H](SC2=NC(=O)CS2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD099972 | 0.43 | 463.49 | C17H21O10NS2 | CC(=O)OC[C@@H]1O[C@@H](SC2=NC(=O)CS2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD109601 | 2.47 | 551.6 | C24H25O10NS2 | CC(=O)OC[C@H]1O[C@@H](SC2=NC(=O)/C(=C/c3ccccc3)S2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD109600 | 2.47 | 551.6 | C24H25O10NS2 | CC(=O)OC[C@@H]1O[C@@H](SC2=NC(=O)/C(=C/c3ccccc3)S2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD110549 | 2.59 | 583.58 | C27H25O10N3S | CC(=O)OC[C@H]1O[C@@H](n2c(O)c(C#N)c(-c3ccccc3)c(C#N)c2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD110556 | 2.59 | 583.58 | C27H25O10N3S | CC(=O)OC[C@@H]1O[C@@H](n2c(O)c(C#N)c(-c3ccccc3)c(C#N)c2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD110554 | 2.59 | 583.58 | C27H25O10N3S | CC(=O)OC[C@H]1O[C@@H](n2c(O)c(C#N)c(-c3ccccc3)c(C#N)c2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD110553 | 2.59 | 583.58 | C27H25O10N3S | CC(=O)OC[C@@H]1O[C@@H](n2c(O)c(C#N)c(-c3ccccc3)c(C#N)c2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD110555 | 2.6 | 613.6 | C28H27O11N3S | COc1ccc(-c2c(C#N)c(O)n([C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)c(=S)c2C#N)cc1 |