Description
Quinovic acid 3-O-(6-deoxyglucoside) 28-O-glucosyl ester isolated from the vines of Uncaria tomentosa.
Synonyms
Quinovic acid 3-O-(6-deoxy-beta-D-glucopyranoside) 28-O-beta-D-glucopyranosyl ester;Quinovic acid 3-O-(6-deoxyglucoside) 28-O-glucosyl ester;Urs-12-ene-27,28-dioic acid, 3-[(6-deoxy-β-D-glucopyranosyl)oxy]-, 28-β-D-glucopyranosyl ester, (3β)-;Quinovicacid3-O-(6-deoxy-β-D-glucopyranoside)28-O-β-D-glucopyranosylester
IUPAC Name
(1S,2R,4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-1,2,6b,9,9,12a-hexamethyl-4a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-6a-carboxylic acid
Molecular Formula
C42H66O14
Canonical SMILES
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C)O)O)O)C)C)C2C1C)C(=O)O)C(=O)OC7C(C(C(C(O7)CO)O)O)O
InChI
1S/C42H66O14/c1-19-10-15-41(37(52)56-35-33(49)31(47)29(45)23(18-43)54-35)16-17-42(36(50)51)22(27(41)20(19)2)8-9-25-39(6)13-12-26(38(4,5)24(39)11-14-40(25,42)7)55-34-32(48)30(46)28(44)21(3)53-34/h8,19-21,23-35,43-49H,9-18H2,1-7H3,(H,50,51)/t19-,20+,21-,23-,24+,25-,26+,27+,28-,29-,30+,31+,32-,33-,34+,35+,39+,40-,41+,42-/m1/s1
InChIKey
AQLCKWUMMOZIEY-KZNIDIGNSA-N
Boiling Point
875.6±65.0 °C(Predicted)
Flash Point
256.4±27.8 °C
Density
1.37±0.1 g/cm3(Predicted)
Uses
3-O-β-D-Quinovopyranosylquinovic Acid 28-O-β-D-Glucopyranosyl Ester can be used its anti-inflammatory and antioxidant properties. It can also be used for its SAR, DNA, TOP1 inhibition and anti-tumor action.