TPCN04185

Name 3??-Hydroxy-lup-20(29)-ene-23, 28-dioic acid-3-O-??D-glucopyranoside
Molecular Formula C36H56O10
Molecular Weight 648.83
CAS Registry Number 1259116-92-1
SMILES C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(C(=O)O)C5CCC43C)C12
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Araliaceae Oplopanax horridus Leaves 0.062222% Nat Prod Commun 5(7): 1019-1022. 10.1177/1934578X1000500706
Properties
HBA 10 HBD 6
HeavyAtoms 46 AlogP 3.98
TPSA 173.98 RotatableBonds 6
FractionCSP3 0.89 Rings 6
AromaticRings 0 AliphaticRings 6