Glycoside
GD136705
Name:
4-Hydroxy-5-(3',5'-Dihydroxyphenyl)-Valeric Acid-O-Methyl-O-GlucuronideFormula:
C18H26O12Smiles:
O=C(CCC(O)Cc1cc(O)cc(O)c1)OCOC1OC(C(O)O)C(O)C(O)C1OAglycone:
O=C(CCC(O)Cc1cc(O)cc(O)c1)OCOSugarmoiety:
OC(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.61 |
| AlogP: | -2.58 | Num_rotatable_bonds: | 9 |
| MolWt: | 434.39 | Num_heavy_atoms: | 30 |
| TPSA: | 206.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD55263
Formula: C12H16O6
Smiles:
O=C(CCC(O)Cc1cc(O)cc(O)c1)OCO| HBA: | 6 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.42 |
| AlogP: | 0.27 | Num_rotatable_bonds: | 6 |
| MolWt: | 256.25 | Num_heavy_atoms: | 18 |
| TPSA: | 107.22 | NumAromaticRings: | 1 |
