synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD044785 | -1.29 | 260.29 | C6H12O7S2 | CS(=O)(=O)O[C@H]1COC[C@H]1OS(C)(=O)=O |
|
GD067984 | -0.01 | 355.78 | C15H18O4N5Cl | C/C(Cl)=C\CNc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O |
|
GD067907 | -0.01 | 355.78 | C15H18O4N5Cl | C/C(Cl)=C\CNc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O |
|
GD108627 | 1.18 | 628.58 | C31H32O14 | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@H]3O[C@H]1C[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](C)O1 |
|
GD108628 | 1.18 | 628.58 | C31H32O14 | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@H]3O[C@H]1C[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](C)O1 |
|
GD108626 | 1.18 | 628.58 | C31H32O14 | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@H]3O[C@H]1C[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](C)O1 |
|
GD108625 | 1.18 | 628.58 | C31H32O14 | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@H]3O[C@H]1C[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](C)O1 |
|
GD083202 | -2.12 | 407.42 | C15H23O9N2S | CC(=O)O[C@@H]1[C@H](CSC(N)=[NH2+])O[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD083203 | -2.12 | 407.42 | C15H23O9N2S | CC(=O)O[C@H]1O[C@@H](CSC(N)=[NH2+])[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD104639 | 1.39 | 456.14 | C6H8O4N6F12 | O[C@@H](COC(N(F)F)(N(F)F)N(F)F)[C@H](O)COC(N(F)F)(N(F)F)N(F)F |