TPCN04466

Name 3??-[(??-L-arabinopyranosyl)oxy]-11??,12??-epoxy-13??,16??,23-trihydroxyoleanan-28-oic acid ??-lactone
Molecular Formula C35H54O10
Molecular Weight 634.81
CAS Registry Number 1154058-21-5
SMILES CC1(C)CCC23C(=O)OC4(C5OC5C5C6(C)CCC(OC7OCC(O)C(O)C7O)C(C)(CO)C6CCC5(C)C4(C)CC2O)C3C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Berberidaceae Caulophyllum thalictroides Aerial parts 0.000515% J Nat Prod 72(6): 1155-1160. 10.1021/np900164b
Properties
HBA 10 HBD 5
HeavyAtoms 45 AlogP 2.30
TPSA 158.44 RotatableBonds 3
FractionCSP3 0.97 Rings 8
AromaticRings 0 AliphaticRings 8