Glycoside
GD118350
Name:
5-(3',4'-Dihydroxyphenyl)-Gamma-Valerolactone-3'-O-Methyl-4'-O-GlucuronideFormula:
C18H22O10Smiles:
COc1cc(CC2CCC(=O)O2)ccc1OC1C(O)OC(C(=O)O)C(O)C1OAglycone:
COc1cc(CC2CCC(=O)O2)ccc1OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -0.79 | Num_rotatable_bonds: | 6 |
| MolWt: | 398.36 | Num_heavy_atoms: | 28 |
| TPSA: | 151.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD47312
Formula: C12H14O4
Smiles:
COc1cc(CC2CCC(=O)O2)ccc1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.42 |
| AlogP: | 1.65 | Num_rotatable_bonds: | 3 |
| MolWt: | 222.24 | Num_heavy_atoms: | 16 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
