TPCN03624

Name Chikusetsusaponin 9a
Molecular Formula C36H62O10
Molecular Weight 654.88
CAS Registry Number 65646-23-3
SMILES CC(C)(O)C=CCC(C)(O)C1CCC2(C)C1C(OC1OC(CO)C(O)C(O)C1O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Melastomataceae Leandra chaetodon Aerial parts 0.001622% Planta Med 69, 582-584 (2003). 10.1055/s-2003-40646
Properties
HBA 10 HBD 8
HeavyAtoms 46 AlogP 2.27
TPSA 180.30 RotatableBonds 7
FractionCSP3 0.94 Rings 5
AromaticRings 0 AliphaticRings 5