active glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD039629 | -1.61 | 867.61 | C25H40O19N7P3S | C[C@H](C(=O)O)C(=O)SCCNC(=O)CCNC(=O)[C@@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O |
|
GD039630 | -1.68 | 864.63 | C26H41O18N7P3S | CC(=O)C(C)=C([O-])SCCNC(=O)CCNC(=O)[C@@H](O)C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O |
|
GD039631 | -1.61 | 867.61 | C25H40O19N7P3S | C[C@H](C(=O)O)C(=O)SCCNC(=O)CCNC(=O)[C@@H](O)C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O |
|
GD039632 | -1.53 | 849.57 | C26H42O19N7P3 | C[C@@H](C(=O)O)C(=O)CCCNC(=O)CCNC(=O)[C@@H](O)C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O |
|
GD039633 | -0.84 | 314.37 | C12H18O4N4S | CSC[C@H]1O[C@H](n2cnc3c2N=CNC[C@H]3O)[C@H](O)[C@@H]1O |
|
GD039634 | -1.29 | 696.51 | C19H22O13N8P2S2 | Nc1ccn([C@H]2O[C@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]3Oc4nc5nc(N)nc(O)c5nc4C(S)=C3S)[C@H](O)[C@@H]2O)c(=O)n1 |
|
GD039635 | -2.39 | 222.19 | C8H14O7 | COC(=O)[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@H]1OC |
|
GD039636 | -2.13 | 740.57 | C20H26O13N10P2S2 | Nc1nc2c(c(=O)[nH]1)N[C@H](C(S)=C(S)[C@H](O)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]1O[C@H](n3cnc4c(=O)[nH]c(N)nc43)[C@@H](O)[C@H]1O)C=N2 |
|
GD038842 | -0.77 | 162.19 | C7H14O4 | C[C@H]1O[C@H](O)C[C@@](C)(O)[C@@H]1O |
|
GD039637 | 0.91 | 994.89 | C33H55O18N7P3S2 | CCCCC[C@H](CC=CC(=O)SCCNC(=O)CCNC(O)C(=O)C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]1O[C@H]([n+]2c[nH]c3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)SCC=O |