Glycoside
GD127642
Name:
4-Hydroxy-5-(Phenyl)-Valeric Acid-O-GlucuronideFormula:
C17H22O9Smiles:
O=C(CCC(O)Cc1ccccc1)OC1OC(C(=O)O)C(O)C(O)C1OAglycone:
O=C(O)CCC(O)Cc1ccccc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -1.19 | Num_rotatable_bonds: | 7 |
| MolWt: | 370.35 | Num_heavy_atoms: | 26 |
| TPSA: | 153.75 | NumAromaticRings: | 1 |
Unique Aglycone
AD51689
Formula: C11H14O3
Smiles:
O=C(O)CCC(O)Cc1ccccc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 5 |
| MolWt: | 194.23 | Num_heavy_atoms: | 14 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
