TPCN00470

Name Ajugol
Molecular Formula C15H24O9
Molecular Weight 348.35
CAS Registry Number 52949-83-4
SMILES CC1(O)CC(O)C2C=COC(OC3OC(CO)C(O)C(O)C3O)C21
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Orobanchaceae Cistanche tubulosa Stems 0.000240% Chem Pharm Bull (Tokyo), 2006, 54, 669-675. 10.1248/cpb.54.669
Properties
HBA 9 HBD 6
HeavyAtoms 24 AlogP -2.58
TPSA 149.07 RotatableBonds 3
FractionCSP3 0.87 Rings 3
AromaticRings 0 AliphaticRings 3