TPCN05255

Name Quinovic acid 3-O-b-D-allopyranoside
Molecular Formula C36H56O10
Molecular Weight 648.83
CAS Registry Number 2089253-98-3
SMILES CC1CCC2(C(=O)O)CCC3(C(=O)O)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Rubiaceae Ladenbergia hexandra Barks 0.046000% Phytochemistry. 2017. 136, 147-155. 10.1016/j.phytochem.2017.01.014
Properties
HBA 10 HBD 6
HeavyAtoms 46 AlogP 3.98
TPSA 173.98 RotatableBonds 5
FractionCSP3 0.89 Rings 6
AromaticRings 0 AliphaticRings 6