pelargonidin-3-O-β-D-glucoside
IUPAC 名称
5-hydroxy-2-(4-hydroxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7H-chromen-7-one
描述
Pelargonidin-3-o-β-d-glucoside is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Pelargonidin-3-o-β-d-glucoside can be found in a number of food items such as tea leaf willow, carob, sour cherry, and black cabbage, which makes pelargonidin-3-o-β-d-glucoside a potential biomarker for the consumption of these food products.
异构
[H][C@]1(CO)O[C@@]([H])(OC2=C(OC3=CC(=O)C=C(O)C3=C2)C2=CC=C(O)C=C2)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O
InChI标识符
InChI=1S/C21H20O10/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-7-12-13(25)5-11(24)6-14(12)29-20(15)9-1-3-10(23)4-2-9/h1-7,16-19,21-23,25-28H,8H2/t16-,17-,18+,19-,21-/m1/s1
键
LOPAXYRUFHKGFO-GQUPQBGVSA-N