synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD112985 | 4.68 | 648.69 | C33H32O10N2S | CC(=O)OC[C@@H]1O[C@H](n2c(C)c(C(C)=O)c(-c3cccc4ccccc34)c(C#N)c2=S)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD112987 | 4.68 | 648.69 | C33H32O10N2S | CC(=O)OC[C@@H]1O[C@@H](n2c(C)c(C(C)=O)c(-c3cccc4ccccc34)c(C#N)c2=S)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD112986 | 4.68 | 648.69 | C33H32O10N2S | CC(=O)OC[C@@H]1O[C@H](n2c(C)c(C(C)=O)c(-c3cccc4ccccc34)c(C#N)c2=S)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD112984 | 4.68 | 648.69 | C33H32O10N2S | CC(=O)OC[C@@H]1O[C@@H](n2c(C)c(C(C)=O)c(-c3cccc4ccccc34)c(C#N)c2=S)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD114129 | 6.03 | 710.76 | C38H34O10N2S | CC(=O)OC[C@@H]1O[C@H](n2c(-c3ccccc3)c(C(C)=O)c(-c3cccc4ccccc34)c(C#N)c2=S)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD114128 | 6.03 | 710.76 | C38H34O10N2S | CC(=O)OC[C@@H]1O[C@@H](n2c(-c3ccccc3)c(C(C)=O)c(-c3cccc4ccccc34)c(C#N)c2=S)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD114131 | 6.03 | 710.76 | C38H34O10N2S | CC(=O)OC[C@@H]1O[C@H](n2c(-c3ccccc3)c(C(C)=O)c(-c3cccc4ccccc34)c(C#N)c2=S)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD114132 | 6.03 | 710.76 | C38H34O10N2S | CC(=O)OC[C@@H]1O[C@@H](n2c(-c3ccccc3)c(C(C)=O)c(-c3cccc4ccccc34)c(C#N)c2=S)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD110360 | 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 |
|
GD110361 | 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 |