Glycoside
GD134146
Name:
Vanillic Acid-4-O-GlucuronideFormula:
C15H18O9Smiles:
COc1cc(C(=O)O)ccc1OC1OC(C(=O)O)C(O)C(O)C1CAglycone:
COc1cc(C(=O)O)ccc1OSugarmoiety:
CC1C(O)OC(C(=O)O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | -0.06 | Num_rotatable_bonds: | 5 |
| MolWt: | 342.3 | Num_heavy_atoms: | 24 |
| TPSA: | 142.75 | NumAromaticRings: | 1 |
Unique Aglycone
AD08832
Formula: C8H8O4
Smiles:
COc1cc(C(=O)O)ccc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 2 |
| MolWt: | 168.15 | Num_heavy_atoms: | 12 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
