Quercetin 3-O-Sophoroside

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Properties Simple | Detailed

Formula C27H30O17
IUPAC Name 3-hydroperoxyprop-1-yn-1-ol; molecular oxygen; 6-(oxomethylene)-3-[3,4,5-trioxo-6-(oxomethylene)tetrahydropyran-2-yl]oxy-tetrahydropyran-2,4,5-trione; hydrate
Molecular Mass 626.517 g·mol−1
Heat of Formation -2858.3 ± 16.7 kJ·mol−1
Dipole Moment 3.64 ± 1.08 D
Volume 648.86 Å 3
Surface Area 475.33 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -1.05 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one
  • 3-[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
  • 3-[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one
  • 3-[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-methylol-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromone
  • 3-[[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-chromenone
  • 4h-1-benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-((2-o-beta-d-glucopyranosyl-beta-d-glucopyranosyl)oxy)-5,7-dihydroxy-
  • baimaside
  • quercetin 3-beta-d-sophoroside
  • quercetin 3-o-beta-d-glucosyl-(1->2)-beta-d-glucoside
  • quercetin-3-o-sophoroside
  • quosp
CAS Number(s)
  • 18609-17-1
  • 27459-71-8
InChIKey RDUAJIJVNHKTQC-UJECXLDQSA-N
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