Glycoside
GD149283
Name:
Verbesinoside EFormula:
C56H80O19Smiles:
COc1ccc(C=CC(=O)OC2CC3(C(=O)O)CC4CC45C(=CCC4C6(C)CCC(OC7OC(CO)C(O)C(O)C7OC7OCC(OC8OCC(O)C(O)C8O)C(O)C7O)C(C)(C)C6CCC45C)C3CC2(C)C)cc1Aglycone:
COc1ccc(C=CC(=O)OC2CC3(C(=O)O)CC4CC45C(=CCC4C6(C)CCC(O)C(C)(C)C6CCC45C)C3CC2(C)C)cc1Sugarmoiety:
OCC1OC(O)C(OC2OCC(OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 10 |
| HBD: | 9 | FractionCSP3: | 0.79 |
| AlogP: | 2.84 | Num_rotatable_bonds: | 12 |
| MolWt: | 1057.24 | Num_heavy_atoms: | 75 |
| TPSA: | 290.05 | NumAromaticRings: | 1 |
Unique Aglycone
AD59704
Formula: C40H54O6
Smiles:
COc1ccc(C=CC(=O)OC2CC3(C(=O)O)CC4CC45C(=CCC4C6(C)CCC(O)C(C)(C)C6CCC45C)C3CC2(C)C)cc1| HBA: | 6 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.7 |
| AlogP: | 8.09 | Num_rotatable_bonds: | 5 |
| MolWt: | 630.87 | Num_heavy_atoms: | 46 |
| TPSA: | 93.06 | NumAromaticRings: | 1 |
