TPCN06155

Name 3-[(O-(6-O-acetyl-??-D-glucopyranosyl)-(1??3)-??-L-arabinopyranosyl)oxy]-30-noroleana-12,20(29)-dien-28-oic acid ??-D-glucopyranosyl ester
Molecular Formula C48H74O18
Molecular Weight 939.10
CAS Registry Number 1260096-76-1
SMILES C=C1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(COC(C)=O)C(O)C(O)C7O)C6O)C(C)(C)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Zygophyllaceae Larrea tridentata Aerial parts 0.000487% Phytochemistry . 2010 Dec;71(17-18):2157-67 10.1016/j.phytochem.2010.09.012
Properties
HBA 18 HBD 9
HeavyAtoms 66 AlogP 0.88
TPSA 280.82 RotatableBonds 9
FractionCSP3 0.88 Rings 8
AromaticRings 0 AliphaticRings 8