Glycoside
GD118734
Name:
4-Hydroxy-5-(3',5'-Dihydroxyphenyl)-Valeric Acid-O-GlucuronideFormula:
C17H22O11Smiles:
O=C(CCC(O)Cc1cc(O)cc(O)c1)OC1OC(C(=O)O)C(O)C(O)C1OAglycone:
O=C(O)CCC(O)Cc1cc(O)cc(O)c1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.53 |
| AlogP: | -1.78 | Num_rotatable_bonds: | 7 |
| MolWt: | 402.35 | Num_heavy_atoms: | 28 |
| TPSA: | 194.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD47504
Formula: C11H14O5
Smiles:
O=C(O)CCC(O)Cc1cc(O)cc(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.36 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 5 |
| MolWt: | 226.23 | Num_heavy_atoms: | 16 |
| TPSA: | 97.99 | NumAromaticRings: | 1 |
