synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD110362 | 2.63 | 685.71 | C32H35O12N3S | COc1ccc(Cc2nn([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)n(-c3ccc(OC)cc3)c2=O)cc1 |
|
GD110359 | 2.63 | 685.71 | C32H35O12N3S | COc1ccc(Cc2nn([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)n(-c3ccc(OC)cc3)c2=O)cc1 |
|
GD114130 | 5.51 | 725.17 | C36H33O11N2ClS | CCOC(=O)c1c(-c2ccc(Cl)cc2)c(C#N)c(=S)n([C@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)c1-c1ccccc1 |
|
GD114127 | 5.51 | 725.17 | C36H33O11N2ClS | CCOC(=O)c1c(-c2ccc(Cl)cc2)c(C#N)c(=S)n([C@@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)c1-c1ccccc1 |
|
GD114125 | 5.51 | 725.17 | C36H33O11N2ClS | CCOC(=O)c1c(-c2ccc(Cl)cc2)c(C#N)c(=S)n([C@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)c1-c1ccccc1 |
|
GD114126 | 5.51 | 725.17 | C36H33O11N2ClS | CCOC(=O)c1c(-c2ccc(Cl)cc2)c(C#N)c(=S)n([C@@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)c1-c1ccccc1 |
|
GD111559 | 3.32 | 632.62 | C33H32O11N2 | COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(=O)n2[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)cc1 |
|
GD111561 | 3.32 | 632.62 | C33H32O11N2 | COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(=O)n2[C@@H]2O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)cc1 |
|
GD111558 | 3.32 | 632.62 | C33H32O11N2 | COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(=O)n2[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)cc1 |
|
GD111560 | 3.32 | 632.62 | C33H32O11N2 | COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(=O)n2[C@@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)cc1 |