Kaempferol 3-(2'''-(E)-caffeylsophoroside)-7-glucoside
IUPAC 名称
(2S,5S)-2-{[(2S,4S,5S)-4,5-dihydroxy-2-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-{[(2S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-3-yl]oxy}-6-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
描述
Kaempferol 3-(2'''-(e)-caffeylsophoroside)-7-glucoside is a member of the class of compounds known as flavonoid-7-o-glycosides. Flavonoid-7-o-glycosides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Thus, kaempferol 3-(2'''-(e)-caffeylsophoroside)-7-glucoside is considered to be a flavonoid lipid molecule. Kaempferol 3-(2'''-(e)-caffeylsophoroside)-7-glucoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Kaempferol 3-(2'''-(e)-caffeylsophoroside)-7-glucoside can be found in cauliflower, which makes kaempferol 3-(2'''-(e)-caffeylsophoroside)-7-glucoside a potential biomarker for the consumption of this food product.
异构
[H]C(=C([H])C1=CC(O)=C(O)C=C1)C(=O)OC1([H])[C@]([H])(OC2([H])[C@]([H])(OC3=C(OC4=CC(O[C@]5([H])O[C@@]([H])(CO)[C@@]([H])(O)C([H])(O)C5([H])O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)OC([H])(CO)[C@@]([H])(O)[C@]2([H])O)OC([H])(CO)[C@@]([H])(O)C1([H])O
InChI标识符
InChI=1S/C42H46O24/c43-12-23-28(51)32(55)35(58)40(61-23)59-18-10-21(49)27-22(11-18)60-36(16-3-5-17(46)6-4-16)37(31(27)54)65-42-39(34(57)30(53)25(14-45)63-42)66-41-38(33(56)29(52)24(13-44)62-41)64-26(50)8-2-15-1-7-19(47)20(48)9-15/h1-11,23-25,28-30,32-35,38-49,51-53,55-58H,12-14H2/b8-2+/t23-,24?,25?,28+,29+,30+,32?,33?,34-,35?,38?,39?,40+,41-,42-/m0/s1
键
VJUZSHIQLQQUEB-XBEJPKJVSA-N