Glycoside
GD123379
Name:
4-Hydroxy-5-(3',4',5'-Trihydroxyphenyl)-Valeric Acid-O-Methyl-O-GlucuronideFormula:
C18H24O13Smiles:
O=C(CCC(O)Cc1cc(O)c(O)c(O)c1)OCOC1OC(C(=O)O)C(O)C(O)C1OAglycone:
O=C(CCC(O)Cc1cc(O)c(O)c(O)c1)OCOSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.56 |
| AlogP: | -2.1 | Num_rotatable_bonds: | 9 |
| MolWt: | 448.38 | Num_heavy_atoms: | 31 |
| TPSA: | 223.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD49782
Formula: C12H16O7
Smiles:
O=C(CCC(O)Cc1cc(O)c(O)c(O)c1)OCO| HBA: | 7 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | -0.02 | Num_rotatable_bonds: | 6 |
| MolWt: | 272.25 | Num_heavy_atoms: | 19 |
| TPSA: | 127.45 | NumAromaticRings: | 1 |
