TPCN03913

Name 3-O-a-rhamnopyranosylquinovic acid;Quinovic acid 3-O-??-L-rhamnoside
Molecular Formula C36H56O9
Molecular Weight 632.84
CAS Registry Number 104055-76-7
SMILES CC1CCC2(C(=O)O)CCC3(C(=O)O)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
Asteraceae Bellis perennis Flowers 0.000333% Chem Pharm Bull (Tokyo), 2008, 56, 559-568. 10.1248/cpb.56.559
Rubiaceae Catunaregam tomentosa Roots 0.000120% Nat Prod Res . 2018 Jul;32(13):1499-1505 10.1080/14786419.2017.1385009
Properties
HBA 9 HBD 5
HeavyAtoms 45 AlogP 5.01
TPSA 153.75 RotatableBonds 4
FractionCSP3 0.89 Rings 6
AromaticRings 0 AliphaticRings 6