synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD104089 | 1.43 | 479.57 | C19H29O9NS2 | CCN(CC)C(=S)S[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD099613 | 0.73 | 453.44 | C21H27O10N | COc1ccc(O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2NC(C)=O)cc1 |
|
GD106086 | -3.78 | 773.59 | C21H42O16N7P3S | CC(C)(CO[PH](O)(O)O[PH](O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O[PH](O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCS |
|
GD105692 | -3.43 | 815.63 | C23H44O17N7P3S | CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO[PH](O)(O)O[PH](O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O[PH](O)(O)O |
|
GD105682 | -6.06 | 611.39 | C17H31O17N3P2 | CC(=O)N[C@H]1[C@@H](O[PH](O)(O)O[PH](O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O |
|
GD095580 | -2.31 | 458.36 | C17H23O9N4P | Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@@H](O)[C@@H](O)[C@@H](O)CO[PH](O)(O)O)c2cc1C |
|
GD095582 | -2.31 | 458.36 | C17H23O9N4P | Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@@H](O)[C@@H](O)CO[PH](O)(O)O)c2cc1C |
|
GD095581 | -2.31 | 458.36 | C17H23O9N4P | Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@@H](O)CO[PH](O)(O)O)c2cc1C |
|
GD105639 | -3.98 | 859.64 | C24H44O19N7P3S | CC(C)(CO[PH](O)(O)O[PH](O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O[PH](O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)O |
|
GD105856 | -3.59 | 873.66 | C25H46O19N7P3S | CC(C)(CO[PH](O)(O)O[PH](O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O[PH](O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCC(=O)O |