natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD114983 | 0.83 | 658.83 | C34H58O12 | COC1C(O)C(OC2CCC3(C)C(CCC4C3CCC3(C)C(C(C)O)CCC43O)C2)OC(C)C1OC1OC(CO)C(O)C(O)C1O |
|
GD114984 | 1.52 | 490.51 | C24H28O5N4F2 | O=C(CC1OC(CN=C(O)Nc2cccc(F)c2)C(O)C1O)N1CCN(c2ccc(F)cc2)CC1 |
|
GD114985 | -1.34 | 432.51 | C21H36O9 | CC1=CCC(O)C2(CO)CCC(C(C)(C)O)C(OC3OC(CO)C(O)C(O)C3O)C12 |
|
GD114986 | 1.35 | 831.81 | C41H43O15N4 | CCc1cc(O)cc(COc2c(OC3OC(C(=O)O)C(O)(CC4=NC=NC4)C(O)C3O)cc3c(c2O)C(O)=CC(c2ccc(OC(CO)C(O)C4=NC(N)=C[CH+]4)cc2)O3)c1 |
|
GD114987 | -0.25 | 384.38 | C18H24O9 | COc1cc(C=CC(=O)OCC2OCC(O)C(O)C2O)cc(OC)c1OC |
|
GD114988 | -1.73 | 957.07 | C47H72O20 | CC1OC(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CC7OC(=O)C(CO)(C7OC7OC(CO)C(O)C(O)C7O)C6CCC5(C)C3(C)CC4O)OCC(O)C2O)C(O)C(O)C1O |
|
GD114989 | 0.69 | 430.41 | C22H22O9 | COc1cccc2c1C(=O)c1c(cc(OC3OC(C)C(O)C(O)C3O)c(C)c1O)C2=O |
|
GD114990 | -0.43 | 352.44 | C17H28O4N4 | CN(C)CCN=C(O)CC1OC(CNCc2ccccn2)C(O)C1O |
|
GD114991 | -0.87 | 652.65 | C31H40O15 | COc1cc(C2OCC3C(c4ccc(OC5OC(COC6OCC(O)(CO)C6O)C(O)C(O)C5O)c(OC)c4)OCC23)ccc1O |
|
GD114992 | -2.25 | 568.53 | C26H32O14 | O=C(OCc1cc(O)ccc1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)c1ccccc1 |