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 |