TPCN05248

Name Quinovic acid 3b-O-6-deoxy-b-Dallopyranosyl-27-O-b-D-glucopyranoside
Molecular Formula C42H66O14
Molecular Weight 794.98
CAS Registry Number 133084-07-8
SMILES CC1CCC2(C(=O)O)CCC3(C(=O)OC4OC(CO)C(O)C(O)C4O)C(=CCC4C5(C)CCC(OC6OC(C)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Rubiaceae Ladenbergia hexandra Barks 0.090000% Phytochemistry. 2017. 136, 147-155. 10.1016/j.phytochem.2017.01.014
Properties
HBA 14 HBD 8
HeavyAtoms 56 AlogP 2.26
TPSA 232.90 RotatableBonds 6
FractionCSP3 0.90 Rings 7
AromaticRings 0 AliphaticRings 7