synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD114124 | 6.04 | 674.73 | C34H34O9N4S | CC(=O)OC[C@@H]1O[C@H](n2c(-c3ccccc3)c(/N=N/c3ccc(C)cc3)c(C)c(C#N)c2=S)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD114123 | 6.04 | 674.73 | C34H34O9N4S | CC(=O)OC[C@@H]1O[C@@H](n2c(-c3ccccc3)c(/N=N/c3ccc(C)cc3)c(C)c(C#N)c2=S)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD112639 | 4.18 | 668.72 | C33H36O11N2S | COc1ccc(-c2c3c(n([C@@H]4O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]4OC(C)=O)c(=S)c2C#N)CC(C)(C)CC3=O)cc1 |
|
GD112636 | 4.18 | 668.72 | C33H36O11N2S | COc1ccc(-c2c3c(n([C@@H]4O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]4OC(C)=O)c(=S)c2C#N)CC(C)(C)CC3=O)cc1 |
|
GD112638 | 4.18 | 668.72 | C33H36O11N2S | COc1ccc(-c2c3c(n([C@@H]4O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]4OC(C)=O)c(=S)c2C#N)CC(C)(C)CC3=O)cc1 |
|
GD112637 | 4.18 | 668.72 | C33H36O11N2S | COc1ccc(-c2c3c(n([C@@H]4O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]4OC(C)=O)c(=S)c2C#N)CC(C)(C)CC3=O)cc1 |
|
GD108663 | 1.29 | 728.66 | C35H36O17 | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@H]3O[C@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD108662 | 1.29 | 728.66 | C35H36O17 | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(C)=O)C[C@H]3O[C@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD108664 | 1.29 | 728.66 | C35H36O17 | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD108661 | 1.29 | 728.66 | C35H36O17 | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(C)=O)C[C@@H]3O[C@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |