Glycoside
GD120591
Name:
5-(3'-Hydroxyphenyl)-Gamma-Valerolactone-3'-O-Beta-D-GlucuronideFormula:
C17H20O9Smiles:
O=C1CCC(Cc2cccc(OC3OC(C(=O)O)C(O)C(O)C3O)c2)O1Aglycone:
O=C1CCC(Cc2cccc(O)c2)O1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | -0.79 | Num_rotatable_bonds: | 5 |
| MolWt: | 368.34 | Num_heavy_atoms: | 26 |
| TPSA: | 142.75 | NumAromaticRings: | 1 |
Unique Aglycone
AD48466
Formula: C11H12O3
Smiles:
O=C1CCC(Cc2cccc(O)c2)O1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.36 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 2 |
| MolWt: | 192.21 | Num_heavy_atoms: | 14 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
