TPCN06145

Name 3-[(??-D-xylopyranosyl)oxy]olean-12-ene-28,29-dioic acid
Molecular Formula C35H54O9
Molecular Weight 618.81
CAS Registry Number 136997-73-4
SMILES CC1(C(=O)O)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Zygophyllaceae Larrea tridentata Aerial parts 0.000510% Phytochemistry . 2010 Dec;71(17-18):2157-67 10.1016/j.phytochem.2010.09.012
Properties
HBA 9 HBD 5
HeavyAtoms 44 AlogP 4.76
TPSA 153.75 RotatableBonds 4
FractionCSP3 0.89 Rings 6
AromaticRings 0 AliphaticRings 6