active glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD018475 | 6.24 | 571.62 | C29H28O4N3F3S | FC(F)(F)c1n[nH]c(=S)n1[C@@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 |
|
GD016291 | 4.62 | 504.61 | C27H28O4N4S | S=c1[nH]nnn1[C@@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 |
|
GD027562 | 5.54 | 535.69 | C28H29O4N3S2 | Nc1nn([C@@H]2O[C@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)c(=S)s1 |
|
GD015064 | -0.58 | 813.64 | C22H38O16N7P3S2 | CSSCCNC(=O)CCNC(=O)C(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 |
|
GD011062 | -6.39 | 964.84 | C13H24O33S8 | O=S(=O)(O)C[C@H]1[C@H](O[C@@]2(COS(=O)(=O)O)O[C@H](COS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O)O[C@@H](CS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O |
|
GD024425 | 0.37 | 981.81 | C34H50O17N9P3S | CC(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)C(O)C(=O)NCCC(=O)NCCSCCC(=O)NCCc1c[nH]c2ccccc12 |
|
GD034328 | 1.85 | 994.85 | C36H53O17N8P3S | CC(CSCCNC(=O)CCNC(=O)C(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)C(=O)CCCc1c[nH]c2ccccc12 |
|
GD011842 | 2.24 | 1008.87 | C37H55O17N8P3S | CCC(CSCCNC(=O)CCNC(=O)C(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)C(=O)CCCc1c[nH]c2ccccc12 |
|
GD023355 | 2.24 | 1008.87 | C37H55O17N8P3S | CC(SCCNC(=O)CCNC(=O)C(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)C(C)C(=O)CCCc1c[nH]c2ccccc12 |
|
GD022024 | 1.99 | 994.85 | C36H53O17N8P3S | CC(CC(=O)CCCc1c[nH]c2ccccc12)SCCNC(=O)CCNC(=O)C(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 |