synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD051052 | 0.51 | 321.35 | C12H19O7NS | C[C@@H]1O[C@H](Nc2ccc(S(O)(O)O)cc2)[C@H](O)[C@H](O)[C@@H]1O |
|
GD106885 | 0.51 | 557.56 | C22H23O12NS2 | CC(=O)OC[C@@H]1O[C@H](S(=O)(=O)c2nc3ccccc3c(=O)s2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD106884 | 0.51 | 557.56 | C22H23O12NS2 | CC(=O)OC[C@@H]1O[C@H](S(=O)(=O)c2nc3ccccc3c(=O)s2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD106883 | 0.51 | 557.56 | C22H23O12NS2 | CC(=O)OC[C@@H]1O[C@H](S(=O)(=O)c2nc3ccccc3c(=O)s2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD106882 | 0.51 | 557.56 | C22H23O12NS2 | CC(=O)OC[C@@H]1O[C@H](S(=O)(=O)c2nc3ccccc3c(=O)s2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD111626 | 3.62 | 630.7 | C29H30O10N2S2 | CC(=O)OC[C@@H]1O[C@H](SC2=N/C(=C/c3cccs3)C(=O)N2c2ccc(C)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD111627 | 3.62 | 630.7 | C29H30O10N2S2 | CC(=O)OC[C@@H]1O[C@H](SC2=N/C(=C\c3cccs3)C(=O)N2c2ccc(C)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD113042 | 6.0 | 640.71 | C36H32O9S | CCS[C@@H]1O[C@H]([C@H](COC(=O)c2ccccc2)OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 |
|
GD113043 | 6.0 | 640.71 | C36H32O9S | CCS[C@@H]1O[C@H]([C@H](COC(=O)c2ccccc2)OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 |
|
GD113041 | 6.0 | 640.71 | C36H32O9S | CCS[C@@H]1O[C@H]([C@H](COC(=O)c2ccccc2)OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 |