TPCN04563

Name Foetidinosides A
Molecular Formula C41H70O13
Molecular Weight 771.00
CAS Registry Number 1252024-38-6
SMILES CC(CCC(OC1OC(CO)C(O)C(O)C1O)C(C)(C)O)C1C(O)CC2(C)C3CCC4C(C)(CCC(OC5OCC(O)C(O)C5O)C4(C)C)C3=CCC12C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Cimicifuga foetida Subterraneous stems 0.000250% Chem Pharm Bull (Tokyo) 58(5): 729-733. 10.1248/cpb.58.729
Properties
HBA 13 HBD 9
HeavyAtoms 54 AlogP 1.76
TPSA 218.99 RotatableBonds 10
FractionCSP3 0.95 Rings 6
AromaticRings 0 AliphaticRings 6