synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD110129 | 2.71 | 578.57 | C30H30O10N2 | CC(=O)OC[C@@H]1O[C@@H](OC(C)=O)[C@@H](NC(=O)c2cc(-c3ccccc3)nc3ccccc23)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD110134 | 2.6 | 661.64 | C30H31O14NS | CCOC(=O)c1oc2cc(OC[C@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)ccc2c(=O)c1-c1cscn1 |
|
GD110136 | 2.6 | 661.64 | C30H31O14NS | CCOC(=O)c1oc2cc(OC[C@@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)ccc2c(=O)c1-c1cscn1 |
|
GD110133 | 2.6 | 661.64 | C30H31O14NS | CCOC(=O)c1oc2cc(OC[C@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)ccc2c(=O)c1-c1cscn1 |
|
GD110135 | 2.6 | 661.64 | C30H31O14NS | CCOC(=O)c1oc2cc(OC[C@@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)ccc2c(=O)c1-c1cscn1 |
|
GD108193 | 1.74 | 565.55 | C25H27O12NS | CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C(=O)Cc3cscn3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD108195 | 1.74 | 565.55 | C25H27O12NS | CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3cscn3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD108194 | 1.74 | 565.55 | C25H27O12NS | CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C(=O)Cc3cscn3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD108192 | 1.74 | 565.55 | C25H27O12NS | CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3cscn3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD108196 | 1.9 | 669.72 | C32H47O14N | CC(=O)N[C@H]1[C@@H](OC[C@H]2O[C@H]3O[C@]4(CCCCC4)O[C@@H]3[C@H]3O[C@]4(CCCCC4)O[C@@H]32)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |