TPCN04194

Name Caulophyllogenin 3-O-??-L-arabinopyranoside;3??-[(??-L-arabinopyranosyl)oxy]-16??,23-dihydroxyolean-12-en-28-oic acid
Molecular Formula C35H56O9
Molecular Weight 620.82
CAS Registry Number 12672-43-4
SMILES CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Berberidaceae Caulophyllum thalictroides Aerial parts 0.020050% J Nat Prod 72(6): 1155-1160. 10.1021/np900164b
Berberidaceae Caulophyllum thalictroides Roots 0.008000% J Agric Food Chem . 2001 Dec;49(12):5969-74 10.1021/jf010814e
Properties
HBA 9 HBD 6
HeavyAtoms 44 AlogP 3.64
TPSA 156.91 RotatableBonds 4
FractionCSP3 0.91 Rings 6
AromaticRings 0 AliphaticRings 6