TPCN04668

Name Foetidinoside B
Molecular Formula C41H62O14
Molecular Weight 778.93
CAS Registry Number 1252024-39-7
SMILES CC(CC(=O)C(O)C(C)(C)OC1OC(CO)C(O)C(O)C1O)C1C(=O)CC2(C)C3=CCC4C(=CCC(OC5OCC(O)C(O)C5O)C4(C)C)CC3=CCC12C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Cimicifuga foetida Subterraneous stems 0.000130% Chem Pharm Bull (Tokyo) 58(5): 729-733. 10.1248/cpb.58.729
Properties
HBA 14 HBD 8
HeavyAtoms 55 AlogP 0.99
TPSA 232.90 RotatableBonds 10
FractionCSP3 0.80 Rings 6
AromaticRings 0 AliphaticRings 6