TPCN05544

Name 3-O-??-D-glucopyranosyl-(1??3)-??-L-arabinopyranosyl oleanolic acid 28-O-??-D-glucopyranosyl ester;Oleanolic acid 3-O-[??-D-glucopyranosyl-(1????->3??)-a-L-arabinopyranosyl]-28-O-??-D-glucopyranoside;Guaiacin B
Molecular Formula C47H76O17
Molecular Weight 913.11
CAS Registry Number 101021-02-7
SMILES CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(C)(C)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Amaranthaceae Chenopodium quinoa Seeds 0.021000% Phytochemistry . 2008 Jun;69(9):1919-26 10.1016/j.phytochem.2008.03.001
Zygophyllaceae Larrea tridentata Aerial parts 0.002370% Phytochemistry . 2010 Dec;71(17-18):2157-67 10.1016/j.phytochem.2010.09.012
Amaranthaceae Chenopodium quinoa Seeds 0.000202% J Agric Food Chem. 2001. 49, 741-746. 10.1021/jf000971y.
Properties
HBA 17 HBD 10
HeavyAtoms 64 AlogP 0.78
TPSA 274.75 RotatableBonds 8
FractionCSP3 0.94 Rings 8
AromaticRings 0 AliphaticRings 8