natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD118252 | 0.14 | 664.81 | C31H52O13S | CC(C=CC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)C(O)C12O)COC1OC(COS(=O)(=O)O)C(O)C1O |
|
GD118253 | -0.55 | 394.38 | C19H22O9 | CC(=O)Cc1c(C2OC(CO)C(O)C(O)C2O)c(O)cc2oc(C)cc(=O)c12 |
|
GD118254 | 3.45 | 523.58 | C29H33O8N | CC(=O)OC1C(OCc2ccc([NH+]([O-])O)cc2)OC(C)C(OCc2ccccc2)C1OCc1ccccc1 |
|
GD118255 | -0.12 | 520.4 | C23H20O14 | COc1c(-c2ccc(OC3OC(C(=O)O)C(O)C(O)C3O)c(O)c2)oc2cc3c(c(O)c2c1=O)OCO3 |
|
GD118256 | -1.53 | 1123.29 | C54H90O24 | COC1CC(OC2CCC3(C)C(=CCC4C3CCC3(C)C4CC(O)C3C(C)OC3OC(C)C(O)C(OC)C3OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)C2)OC(C)C1OC1OC(C)C(O)C(OC)C1O |
|
GD118257 | 3.11 | 829.02 | C41H64O15S | C=C(C)CCCC(C)(O)C1C2CC3(C)C4=CCC5C(C)(C)C(OC6OCC(OS(=O)(=O)O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC13C(=O)O2 |
|
GD118258 | 3.13 | 736.94 | C40H64O12 | CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C6CCC7(C(=O)O)CCC(C)(C)CC7C6=CCC54)C3(C)CO)OCC(O)C2O)C(O)C(O)C1O |
|
GD118259 | 1.91 | 1073.28 | C54H88O21 | CCC1CC(=O)C2(O)C3CC=C4CC(OC5CC(OC)C(OC6CC(OC)C(OC7CC(O)C(OC8CC(OC)C(OC9OC(CO)C(O)C(O)C9O)C(CO)O8)C(C)O7)C(C)O6)C(C)O5)CCC4(C)C3CCC12C |
|
GD118260 | 2.49 | 766.97 | C41H66O13 | CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(C)(C)C5CCC43C)C2C1 |
|
GD118261 | -2.87 | 287.23 | C10H13O7N3 | N=c1ccn(C2OC(C(=O)O)C(O)C(O)C2O)c(O)n1 |