Quercetin 3-O-neohesperidoside
IUPAC 名称
3-{[(2S,3R,4R,5S,6S)-4,5-dihydroxy-6-methyl-3-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one
描述
Quercetin 3-o-neohesperidoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Quercetin 3-o-neohesperidoside can be found in black elderberry, which makes quercetin 3-o-neohesperidoside a potential biomarker for the consumption of this food product.
异构
C[C@@H]1O[C@@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H]1O
InChI标识符
InChI=1S/C27H30O16/c1-8-17(33)21(37)25(43-26-22(38)20(36)18(34)15(7-28)41-26)27(39-8)42-24-19(35)16-13(32)5-10(29)6-14(16)40-23(24)9-2-3-11(30)12(31)4-9/h2-6,8,15,17-18,20-22,25-34,36-38H,7H2,1H3/t8-,15+,17+,18-,20-,21+,22+,25+,26-,27-/m0/s1
键
DFNXNCCYQRPZMD-QBPMGZHBSA-N