TPCN06062

Name Akemisaponin H
Molecular Formula C52H82O22
Molecular Weight 1059.21
CAS Registry Number 1450732-73-6
SMILES CC1=CC2C3=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C(=O)OC2OC(COC3OC(CO)C(OC4OC(C)C(O)C(OC5OCC(O)C(O)C5O)C4O)C(O)C3O)C(O)C(O)C2O)CC1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Lardizabalaceae Akebia trifoliata Peels 0.001510% Chem Pharm Bull (Tokyo) . 2012;60(10):1264-74 10.1248/cpb.c12-00448
Properties
HBA 22 HBD 13
HeavyAtoms 74 AlogP -1.87
TPSA 353.90 RotatableBonds 10
FractionCSP3 0.90 Rings 9
AromaticRings 0 AliphaticRings 9