synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD110181 | 2.69 | 589.58 | C27H27O12NS | CC(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(=O)c(-c4cscn4)c(C)oc3c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD110180 | 2.69 | 589.58 | C27H27O12NS | CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c(=O)c(-c4cscn4)c(C)oc3c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD111986 | 3.58 | 602.98 | C30H27O12Cl | CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c(=O)c(-c4ccc(Cl)cc4)coc3c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD085814 | 0.2 | 405.39 | C18H20O5N5F | COc1ccc(CNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(F)c1 |
|
GD112429 | 4.69 | 596.62 | C31H24O7N4S | O=C(OC[C@@H]1O[C@H](n2cnc3c(=S)[nH]cnc32)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 |
|
GD112430 | 4.69 | 596.62 | C31H24O7N4S | O=C(OC[C@@H]1O[C@H](n2cnc3c(=S)[nH]cnc32)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1 |
|
GD108294 | 1.23 | 554.57 | C24H30O11N2S | CCOC(=O)c1ccc(NC(=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)cc1 |
|
GD092597 | 0.6 | 447.44 | C19H29O11N | CCCCOC(=O)N[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD104219 | 1.13 | 473.48 | C21H31O11N | CC(=O)OC[C@@H]1O[C@H](NC(=O)OC2CCCCC2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD088966 | -1.92 | 442.39 | C18H18O6N8 | Nc1nc2c(nc(N/N=C3\C(=O)Nc4ccccc43)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1 |