active glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD030593 | -2.78 | 654.54 | C16H14O20S4 | Cc1cc(=O)oc2cc(O[C@@H]3O[C@H](COS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]3OS(=O)(=O)[O-])ccc12 |
|
GD025341 | -4.25 | 735.56 | C15H11O24S5 | O=c1ccc2cc(O[C@@H]3O[C@H](COS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]3OS(=O)(=O)[O-])c(OS(=O)(=O)[O-])cc2o1 |
|
GD030556 | -4.22 | 681.56 | C13H13O22S5 | O=S(=O)([O-])OCc1ccccc1O[C@@H]1O[C@H](COS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]1OS(=O)(=O)[O-] |
|
GD007126 | -1.8 | 451.4 | C13H22O7N7PS | C[S+]([O-])(CCN)=NP(=O)(O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1O |
|
GD029635 | -1.28 | 480.4 | C14H21O9N6PS | C[S+]([O-])(CCC(=O)O)=NP(=O)(O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1O |
|
GD032617 | -1.38 | 442.32 | C17H19O10N2P | O=C(Cn1c(=O)ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@H](O)[C@H]2O)c1=O)c1ccccc1 |
|
GD004274 | -0.84 | 564.5 | C26H28O14 | COc1cc(-c2cc(=O)c3c(O)cc(OC4O[C@H](CO)[C@H](O)[C@H]4OC4OC[C@H](O)[C@H](O)[C@H]4O)cc3o2)ccc1O |
|
GD006677 | -2.61 | 418.19 | C10H16O12N2P2 | Cn1c(=O)ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]2O)c1=O |
|
GD028537 | -8.4 | 1154.99 | C40H54O33N2S2 | COC1C(NC(C)=O)C(OC2C(C(=O)[O-])OC(OC3C(NC(C)=O)C(OC4C(C(=O)[O-])OC(C)C(OC(C)=O)C4O)OC(COC(C)=O)C3OS(=O)(=O)[O-])C(OC(C)=O)C2OC(C)=O)OC(COC(C)=O)C1OS(=O)(=O)[O-] |
|
GD009877 | 1.43 | 532.62 | C26H32O8N2S | COc1c(NC2OC[C@H](O)[C@H](O)[C@H]2O)cc2c(c1OC)-c1ccc(SC)c(=O)cc1[C@H](NC(C)=O)CC2 |