Glycoside
GD139080
Name:
5-(3',4'-Dihydroxyphenyl)-Gamma-Valerolactone-4'-O-GlucuronideFormula:
C17H20O10Smiles:
O=C1CCC(Cc2ccc(OC3OC(C(=O)O)C(O)C(O)C3O)c(O)c2)O1Aglycone:
O=C1CCC(Cc2ccc(O)c(O)c2)O1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -1.09 | Num_rotatable_bonds: | 5 |
| MolWt: | 384.34 | Num_heavy_atoms: | 27 |
| TPSA: | 162.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD56091
Formula: C11H12O4
Smiles:
O=C1CCC(Cc2ccc(O)c(O)c2)O1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 1.35 | Num_rotatable_bonds: | 2 |
| MolWt: | 208.21 | Num_heavy_atoms: | 15 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
