TPCN05642

Name Oleanolic acid 28-O-??-D-glucopyranoside
Molecular Formula C45H68O15
Molecular Weight 849.02
CAS Registry Number 1883809-17-3
SMILES C=C1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)OCCCC)C(O)C(O)C6O)C(C)(C=O)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Amaranthaceae Salicornia bigelovii Whole plants 0.000038% Molecules. 2015. 20, 6419-6431. 10.3390/molecules20046419.
Properties
HBA 15 HBD 7
HeavyAtoms 60 AlogP 2.38
TPSA 238.97 RotatableBonds 10
FractionCSP3 0.84 Rings 7
AromaticRings 0 AliphaticRings 7