pelargonidin-3-O-rutinoside-5-O-β-D-glucoside
IUPAC 名称
2-(4-hydroxyphenyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-1λ⁴-chromen-1-ylium-7-olate
描述
Pelargonidin-3-o-rutinoside-5-o-β-d-glucoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Pelargonidin-3-o-rutinoside-5-o-β-d-glucoside can be found in a number of food items such as pecan nut, lemon verbena, yardlong bean, and sesame, which makes pelargonidin-3-o-rutinoside-5-o-β-d-glucoside a potential biomarker for the consumption of these food products.
异构
CC1OC(OCC2OC(OC3=CC4=C(C=C([O-])C=C4OC4OC(CO)C(O)C(O)C4O)[O+]=C3C3=CC=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O
InChI标识符
InChI=1S/C33H40O19/c1-11-21(37)24(40)27(43)31(47-11)46-10-20-23(39)26(42)29(45)33(52-20)50-18-8-15-16(48-30(18)12-2-4-13(35)5-3-12)6-14(36)7-17(15)49-32-28(44)25(41)22(38)19(9-34)51-32/h2-8,11,19-29,31-34,37-45H,9-10H2,1H3,(H-,35,36)
键
YTMOEUVNNYCFEO-UHFFFAOYSA-N