TPCN04100

Name 3??-O-acetyl-3O-??-L-arabinopyranosyl-23-hydroxyolea-12-en-28-oic acid
Molecular Formula C37H58O9
Molecular Weight 646.86
CAS Registry Number 861886-94-4
SMILES CC(=O)OC1C(O)COC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)O)CCC34C)C2(C)CO)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Souliea vaginata Whole plants 0.000070% Chem Pharm Bull (Tokyo) 52, 622-624 (2004). 10.1248/cpb.52.622
Properties
HBA 9 HBD 4
HeavyAtoms 46 AlogP 5.24
TPSA 142.75 RotatableBonds 5
FractionCSP3 0.89 Rings 6
AromaticRings 0 AliphaticRings 6