TPCN06130
Name | 3-[(O-??-D-glucopyranosyl-(1??3)-2-O-sulfo-??-L-arabinopyranosyl)oxy]olean-12-en-28-oic acid ??-D-glucopyranosyl ester sodium salt |
Molecular Formula | C47H76NaO20S |
Molecular Weight | 1016.16 |
CAS Registry Number | 1260096-70-5 |
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)C6OS(=O)(=O)O)C(C)(C)C5CCC43C)C2C1.[Na] |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Zygophyllaceae | Larrea tridentata | Aerial parts | 0.000650% | Phytochemistry . 2010 Dec;71(17-18):2157-67 | 10.1016/j.phytochem.2010.09.012 |
Properties
HBA | 20 | HBD | 10 |
HeavyAtoms | 69 | AlogP | 0.23 |
TPSA | 318.12 | RotatableBonds | 10 |
FractionCSP3 | 0.94 | Rings | 8 |
AromaticRings | 0 | AliphaticRings | 8 |