pelargonidin 3-O-sophoroside
IUPAC 名称
3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-1lambda4-chromen-1-ylium
描述
Pelargonidin 3-O-sophoroside 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. Pelargonidin 3-o-sophoroside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Pelargonidin 3-o-sophoroside can be found in a number of food items such as common buckwheat, carrot, highbush blueberry, and adzuki bean, which makes pelargonidin 3-o-sophoroside a potential biomarker for the consumption of these food products.
异构
OCC1OC(OC2C(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC=C(O)C=C3)OC(CO)C(O)C2O)C(O)C(O)C1O
InChI标识符
InChI=1S/C27H30O15/c28-8-17-19(33)21(35)23(37)26(40-17)42-25-22(36)20(34)18(9-29)41-27(25)39-16-7-13-14(32)5-12(31)6-15(13)38-24(16)10-1-3-11(30)4-2-10/h1-7,17-23,25-29,33-37H,8-9H2,(H2-,30,31,32)/p+1
键
HASVPNDDKSXPGU-UHFFFAOYSA-O