TPCN04008

Name Quinovic acid 28-O-b-glucopyranosyl ester
Molecular Formula C36H56O10
Molecular Weight 648.83
CAS Registry Number 120462-57-9
SMILES CC1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C(=O)O)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Schisandraceae Kadsura ananosma Stems 0.000158% J Nat Prod, 2010, 73, 12-16. 10.1021/np900506g
Properties
HBA 10 HBD 6
HeavyAtoms 46 AlogP 3.41
TPSA 173.98 RotatableBonds 4
FractionCSP3 0.89 Rings 6
AromaticRings 0 AliphaticRings 6