TPCN04039

Name Cincholic acid 3??-O-??-D-glucopyranosyl-(1??4)-??-D-fucopyranoside;3-O-beta-glucopyranosyl-(1-->4)-beta-fucopyranosylcincholic acid
Molecular Formula C42H66O14
Molecular Weight 794.98
CAS Registry Number 833486-54-7
SMILES CC1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)O)CCC34C(=O)O)C2(C)C)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Rubiaceae Uncaria tomentosa Stems 0.003449% Chem Pharm Bull (Tokyo) . 2004 Oct;52(10):1258-61 10.1248/cpb.52.1258
Ranunculaceae Souliea vaginata Whole plants 0.000122% Chem Pharm Bull (Tokyo) 52, 622-624 (2004). 10.1248/cpb.52.622
Properties
HBA 14 HBD 8
HeavyAtoms 56 AlogP 2.97
TPSA 232.90 RotatableBonds 7
FractionCSP3 0.90 Rings 7
AromaticRings 0 AliphaticRings 7