5-{[4-(β-D-Glucopyranosyloxy)benzyl]oxy}-3-(2-{[4-(β-D-glucopyranosyloxy)benzyl]oxy}-2-oxoethyl)-3-hydroxy-5-oxopentanoic acid

More details:

• Systematic name

  5-{[4-(beta-D-Glucopyranosyloxy)benzyl]oxy}-3-(2-{[4-(beta-D-glucopyranosyloxy)benzyl]oxy}-2-oxoethyl)-3-hydroxy-5-oxopentanoic acid

• SMILES

  C1=C(C=CC(=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O)O)O)COC(=O)CC(CC(=O)O)(CC(=O)OCC3=CC=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@@H](CO)O4)O)O)O)O c1cc(ccc1COC(=O)CC(CC(=O)O)(CC(=O)OCc2ccc(cc2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O

• Std. InChi

  InChI=1S/C33H42O19/c34-12-20-25(40)27(42)29(44)31(51-20)49-18-5-1-16(2-6-18)14-47-23(38)10-33(46,9-22(36)37)11-24(39)48-15-17-3-7-19(8-4-17)50-32-30(45)28(43)26(41)21(13-35)52-32/h1-8,20-21,25-32,34-35,40-46H,9-15H2,(H,36,37)/t20-,21-,25-,26-,27+,28+,29-,30-,31-,32-/m1/s1

• Std. InChIKey

  QBCQKTCXGKZAOC-HCSHWHRSSA-N

• Cite this record

  CSID:58801473, http://www.chemspider.com/Chemical-Structure.58801473.html (accessed 21:14, Apr 30, 2024)