active glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD011260 | 1.73 | 978.8 | C35H49O17N8P3S | 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)NCCSC=CC(=O)CCCc1c[nH]c2ccccc12 |
|
GD035517 | 2.38 | 1008.88 | C37H55O17N8P3S | CC(C)(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 |
|
GD035969 | 1.6 | 980.82 | C35H51O17N8P3S | 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)CCCc1c[nH]c2ccccc12 |
|
GD022922 | 1.39 | 982.84 | C35H53O17N8P3S | 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)CCCc1c[nH]c2ccccc12 |
|
GD001236 | 2.38 | 1020.89 | C38H55O17N8P3S | 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)NCCSC1CCCC1C(=O)CCCc1c[nH]c2ccccc12 |
|
GD034528 | -0.02 | 967.78 | C33H48O17N9P3S | 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)NCCSCC(=O)NCCc1c[nH]c2ccccc12 |
|
GD016510 | 0.37 | 981.81 | C34H50O17N9P3S | 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(=O)NCCc1c[nH]c2ccccc12 |
|
GD033185 | -0.28 | 492.32 | C15H22O9N6P2 | CO[C@@H]1[C@H](OP(C)(=O)O)[C@H](COP(C)(=O)O)O[C@H]1n1cnc2c(=O)n3ncn(C)c3nc21 |
|
GD031958 | -0.93 | 478.3 | C14H20O9N6P2 | Cn1cnn2c(=O)c3ncn([C@@H]4O[C@H](COP(C)(=O)O)[C@H](OP(C)(=O)O)[C@H]4O)c3nc12 |
|
GD020770 | 0.79 | 454.34 | C13H20O8N4P2S | Cn1cnc2c(ncn2[C@@H]2O[C@H](COP(C)(=O)O)[C@H](OP(C)(=O)O)[C@H]2O)c1=S |