TPCN04376

Name 3??-[(??-L-arabinopyranosyl)oxy]-16??,23-dihydroxyoleana-11,13-dien-28oic acid
Molecular Formula C35H54O9
Molecular Weight 618.81
CAS Registry Number 1154058-23-7
SMILES CC1(C)CCC2(C(=O)O)C(=C3C=CC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC4(C)C3(C)CC2O)C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Berberidaceae Caulophyllum thalictroides Aerial parts 0.001080% J Nat Prod 72(6): 1155-1160. 10.1021/np900164b
Properties
HBA 9 HBD 6
HeavyAtoms 44 AlogP 3.56
TPSA 156.91 RotatableBonds 4
FractionCSP3 0.86 Rings 6
AromaticRings 0 AliphaticRings 6