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