TPCN04669

Name Scolopianate A;Foetidinoside E
Molecular Formula C41H70O15
Molecular Weight 803.00
CAS Registry Number 1252024-44-4
SMILES CC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C(O)C(C)(C)O)C1C(O)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 0.000130% Chem Pharm Bull (Tokyo) 58(5): 729-733. 10.1248/cpb.58.729
Flacourtiaceae Scolopia chinensis Stems 0.000009% Planta Med 76(4): 358-361. 10.1055/s-0029-1186157
Properties
HBA 15 HBD 11
HeavyAtoms 56 AlogP -0.47
TPSA 259.45 RotatableBonds 10
FractionCSP3 1.00 Rings 7
AromaticRings 0 AliphaticRings 7