TPCN04612

Name 3??-O-??-L-arabinopyranosyl-19??-hydroxyurs-12-en-28-oic acid
Molecular Formula C35H56O8
Molecular Weight 604.83
CAS Registry Number 35286-59-0
SMILES CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1(C)O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Aquifoliaceae Ilex rotunda Barks 0.000189% Chem Biodivers 14(2). 10.1002/cbdv.201600209
Properties
HBA 8 HBD 5
HeavyAtoms 43 AlogP 4.67
TPSA 136.68 RotatableBonds 3
FractionCSP3 0.91 Rings 6
AromaticRings 0 AliphaticRings 6