TPCN06359

Name ?3??-hydroxyoleane-6??-oxethyl-12-en-28-oic acid 3-O-??-D-glucuronic acid
Molecular Formula C38H60O10
Molecular Weight 676.89
CAS Registry Number 2306108-54-1
SMILES CCOC1CC2(C)C(CC=C3C4CC(C)(C)CCC4(C(=O)O)CCC32C)C2(C)CCC(OC3OC(C(=O)O)C(O)C(O)C3O)C(C)(C)C12
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Apocynaceae Epigynum griffithianum Stems 0.000385% None 10.1080/14786419.2018.1512989
Properties
HBA 10 HBD 5
HeavyAtoms 48 AlogP 5.17
TPSA 162.98 RotatableBonds 6
FractionCSP3 0.89 Rings 6
AromaticRings 0 AliphaticRings 6