5-Carboxypyranocyanidin 3-O-(6''-O-malonyl-beta-glucopyranoside)
IUPAC 名称
7-carboxy-4-{[(2S,3R,4S,5S,6R)-6-{[(2-carboxyacetyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl]oxy}-3-(3,4-dihydroxyphenyl)-11-hydroxy-2λ⁴,8-dioxatricyclo[7.3.1.0⁵,¹³]trideca-1(13),2,4,6,9,11-hexaen-2-ylium
描述
5-carboxypyranocyanidin 3-o-(6''-o-malonyl-beta-glucopyranoside) is a member of the class of compounds known as anthocyanidin-3-o-glycosides. Anthocyanidin-3-o-glycosides are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C3-position. 5-carboxypyranocyanidin 3-o-(6''-o-malonyl-beta-glucopyranoside) is practically insoluble (in water) and a moderately acidic compound (based on its pKa). 5-carboxypyranocyanidin 3-o-(6''-o-malonyl-beta-glucopyranoside) can be found in garden onion, which makes 5-carboxypyranocyanidin 3-o-(6''-o-malonyl-beta-glucopyranoside) a potential biomarker for the consumption of this food product.
异构
O[C@@H]1[C@@H](COC(=O)CC(O)=O)O[C@@H](OC2=C3C=C(OC4=CC(O)=CC([O+]=C2C2=CC(O)=C(O)C=C2)=C34)C(O)=O)[C@H](O)[C@H]1O
InChI标识符
InChI=1S/C27H22O16/c28-10-4-14-20-11(6-16(40-14)26(37)38)25(24(41-15(20)5-10)9-1-2-12(29)13(30)3-9)43-27-23(36)22(35)21(34)17(42-27)8-39-19(33)7-18(31)32/h1-6,17,21-23,27,34-36H,7-8H2,(H4-,28,29,30,31,32,37,38)/p+1/t17-,21-,22+,23-,27+/m1/s1
键
QYGZGEVHEDPHDA-VFTFQOQOSA-O