gentiodelphin
IUPAC 名称
5-{[6-({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-(3-{[6-({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-4,5-dihydroxyphenyl)-7-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium
描述
Gentiodelphin is a member of the class of compounds known as anthocyanidin 5-o-6-p-coumaroyl glycosides. Anthocyanidin 5-o-6-p-coumaroyl glycosides are anthocyanidin 5-O-glycosides where the carbohydrate moiety is esterified at the C6 position with a p-coumaric acid. P-coumaric acid is an organic derivative of cinnamic acid, that carries a hydroxyl group at the 4-position of the benzene ring. Gentiodelphin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Gentiodelphin can be found in a number of food items such as radish (variety), poppy, dandelion, and date, which makes gentiodelphin a potential biomarker for the consumption of these food products.
异构
OCC1OC(OC2=C([O+]=C3C=C(O)C=C(OC4OC(COC(=O)C=CC5=CC=C(O)C(O)=C5)C(O)C(O)C4O)C3=C2)C2=CC(O)=C(O)C(OC3OC(COC(=O)C=CC4=CC=C(O)C(O)=C4)C(O)C(O)C3O)=C2)C(O)C(O)C1O
InChI标识符
InChI=1S/C51H52O28/c52-16-33-39(62)42(65)45(68)51(77-33)76-32-15-23-29(13-22(53)14-30(23)74-49-46(69)43(66)40(63)34(78-49)17-71-36(59)7-3-19-1-5-24(54)26(56)9-19)73-48(32)21-11-28(58)38(61)31(12-21)75-50-47(70)44(67)41(64)35(79-50)18-72-37(60)8-4-20-2-6-25(55)27(57)10-20/h1-15,33-35,39-47,49-52,62-70H,16-18H2,(H6-,53,54,55,56,57,58,59,60,61)/p+1
键
CMHKKALEZOJWDP-UHFFFAOYSA-O