TPCN04480

Name 3??-[(??-L-arabinopyranosyl)oxy]-16??-hydroxy-23-oxo-olean-12-en-28-oic acid.
Molecular Formula C35H54O9
Molecular Weight 618.81
CAS Registry Number 1154058-17-9
SMILES CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(C=O)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Berberidaceae Caulophyllum thalictroides Aerial parts 0.000480% J Nat Prod 72(6): 1155-1160. 10.1021/np900164b
Properties
HBA 9 HBD 5
HeavyAtoms 44 AlogP 3.85
TPSA 153.75 RotatableBonds 4
FractionCSP3 0.89 Rings 6
AromaticRings 0 AliphaticRings 6