TPCN02426

Name Aquoside A
Molecular Formula C25H44O8
Molecular Weight 472.62
CAS Registry Number 1062129-22-9
SMILES C=CC(C)(O)CCC1C(C)(OC2OCC(O)C(O)C2O)CCC2C(C)(CO)C(O)CCC12C
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Aquilegia hybrida Aerial parts 0.001451% Chem Pharm Bull (Tokyo) 56, 1009-1012 (2008). 10.1248/cpb.56.1009
Properties
HBA 8 HBD 6
HeavyAtoms 33 AlogP 1.10
TPSA 139.84 RotatableBonds 7
FractionCSP3 0.92 Rings 3
AromaticRings 0 AliphaticRings 3