TPCN06167
Name | 3-[(??-L-arabinopyranosyl)oxy]-30-noroleana-12,20(29)-dien-28-oic acid ??-D-glucopyranosyl ester |
Molecular Formula | C40H62O12 |
Molecular Weight | 734.92 |
CAS Registry Number | 1260096-73-8 |
SMILES | C=C1CCC2(C(=O)O)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 |
---|---|---|---|---|---|
Zygophyllaceae | Larrea tridentata | Aerial parts | 0.000420% | Phytochemistry . 2010 Dec;71(17-18):2157-67 | 10.1016/j.phytochem.2010.09.012 |
Properties
HBA | 12 | HBD | 7 |
HeavyAtoms | 52 | AlogP | 3.05 |
TPSA | 195.60 | RotatableBonds | 6 |
FractionCSP3 | 0.88 | Rings | 7 |
AromaticRings | 0 | AliphaticRings | 7 |