TPCN03931

Name Chikusetsusaponin LM4
Molecular Formula C48H82O19
Molecular Weight 963.17
CAS Registry Number 156009-80-2
SMILES CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3C(O)CC12C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Thalictri herba Aerial parts 0.000286% Chem Pharm Bull (Tokyo), 1994, 42, 101-104. 10.1248/cpb.42.101
Properties
HBA 19 HBD 13
HeavyAtoms 67 AlogP -1.06
TPSA 318.37 RotatableBonds 13
FractionCSP3 0.96 Rings 7
AromaticRings 0 AliphaticRings 7