TPCN05393

Name Quinovic acid 3-O-??-L-rhamnopyranosyl-(4??1)-??-D-glucopyranoside;Rubelloside A
Molecular Formula C42H66O14
Molecular Weight 794.98
CAS Registry Number 167882-67-9
SMILES CC1CCC2(C(=O)O)CCC3(C(=O)O)C(=CCC4C5(C)CCC(OC6OC(C)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(C)(C)C5CCC43C)C2C1C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Rubiaceae Adina rubella Roots 0.001680% Phytochemistry. 1997. 44, 1139-1143. 10.1016/s0031-9422(96)00660-7.
Rubiaceae Adina rubella Roots 0.001680% Phytochemistry. 1995. 39, 1241-1243. 10.1016/0031-9422(95)00119-r.
Rubiaceae Neonauclea sessilifolia Stems 0.000857% J Asian Nat Prod Res . 2004 Mar;6(1):1-6 10.1080/1028602031000082007
Properties
HBA 14 HBD 8
HeavyAtoms 56 AlogP 2.83
TPSA 232.90 RotatableBonds 7
FractionCSP3 0.90 Rings 7
AromaticRings 0 AliphaticRings 7