TPCN05411

Name 3-O-{b-D-glucopyranosyl(1 4 2)-[a-Larabinopyranosyl(1 4 6)]-b-D-glucopyranosyl}-oleanolic acid
Molecular Formula C47H76O17
Molecular Weight 913.11
CAS Registry Number 2088027-25-0
SMILES CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(COC7OCC(O)C(O)C7O)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Fabaceae Albizia gummifera Barks 0.001294% Phytochemistry. 2000. 53, 885-892. 10.1016/s0031-9422(99)00464-1.
Properties
HBA 17 HBD 10
HeavyAtoms 64 AlogP 1.35
TPSA 274.75 RotatableBonds 9
FractionCSP3 0.94 Rings 8
AromaticRings 0 AliphaticRings 8