pelargonidin-3,5-diglucoside-5-O-caffeoylglucoside
IUPAC 名称
5-{[6-({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-(4-hydroxyphenyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium-7-olate
描述
Pelargonidin-3,5-diglucoside-5-o-caffeoylglucoside is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Pelargonidin-3,5-diglucoside-5-o-caffeoylglucoside can be found in a number of food items such as komatsuna, root vegetables, summer savory, and malabar spinach, which makes pelargonidin-3,5-diglucoside-5-o-caffeoylglucoside a potential biomarker for the consumption of these food products.
异构
OCC1OC(OC2=CC3=C(C=C([O-])C=C3OC3OC(COC(=O)C=CC4=CC(O)=C(O)C=C4)C(O)C(O)C3O)[O+]=C2C2=CC=C(O)C=C2)C(O)C(O)C1O
InChI标识符
InChI=1S/C36H36O18/c37-13-25-28(43)30(45)32(47)36(53-25)52-24-12-19-22(50-34(24)16-3-5-17(38)6-4-16)10-18(39)11-23(19)51-35-33(48)31(46)29(44)26(54-35)14-49-27(42)8-2-15-1-7-20(40)21(41)9-15/h1-12,25-26,28-33,35-37,43-48H,13-14H2,(H3-,38,39,40,41,42)
键
XVAALFVCJHPAIQ-UHFFFAOYSA-N