TPCN04629

Name Foetidinoside D
Molecular Formula C41H70O14
Molecular Weight 787.00
CAS Registry Number 1252024-43-3
SMILES CC(C(O)CC(O)C(C)(C)O)C1C(OC2OC(CO)C(O)C(O)C2O)CC2(C)C3CCC4C(C)(C)C(OC5OCC(O)C(O)C5O)CCC45CC35CCC12C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Cimicifuga foetida Subterraneous stems 0.000170% Chem Pharm Bull (Tokyo) 58(5): 729-733. 10.1248/cpb.58.729
Properties
HBA 14 HBD 10
HeavyAtoms 55 AlogP 0.56
TPSA 239.22 RotatableBonds 10
FractionCSP3 1.00 Rings 7
AromaticRings 0 AliphaticRings 7