5-Hydroxy-2-(4-Hydroxyphenyl)-4-Oxo-4H-Chromen-7-Yl 2-O-β-D-Glucopyranuronosyl-β-D-Glucopyranosiduronic Acid

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Properties Simple | Detailed

Formula C27H26O17
IUPAC Name (2s,3s,4s,5r,6r)-6-[(2s,3r,4s,5s,6s)-6-carboxy-4,5-dihydroxy-2-[[5-oxido-2-(4-oxidobenzene-2,3,5,6-tetraid-1-yl)-4-oxo-3,6-dihydrochromene-3,6-diid-7-yl]oxy]tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylate
Molecular Mass 622.485 g·mol−1
Heat of Formation -2730.8 ± 16.7 kJ·mol−1
Dipole Moment 7.72 ± 1.08 D
Volume 645.38 Å 3
Surface Area 526.19 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy 2.32 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s,5r,6r)-6-[(2s,3r,4s,5s,6s)-6-carboxy-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-keto-chromen-7-yl]oxy-tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
  • (2s,3s,4s,5r,6r)-6-[(2s,3r,4s,5s,6s)-6-carboxy-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-7-yl]oxy-oxan-3-yl]oxy-3,4,5-trihydroxy-oxane-2-carboxylic acid
  • (2s,3s,4s,5r,6r)-6-[(2s,3r,4s,5s,6s)-6-carboxy-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-7-yl]oxy-tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
  • (2s,3s,4s,5r,6r)-6-[(2s,3r,4s,5s,6s)-6-carboxy-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
  • (2s,3s,4s,5r,6r)-6-[[(2s,3r,4s,5s,6s)-6-carboxy-4,5-dihydroxy-2-[[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-chromenyl]oxy]-3-tetrahydropyranyl]oxy]-3,4,5-trihydroxy-2-tetrahydropyrancarboxylic acid
  • apigenin-7-o-glucuronopyranosyl(1-2)-glucuronopyranoside
  • beta-d-glucopyranosiduronic acid, 5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4h-1-benzopyran-7-yl 2-o-beta-d-glucopyranuronosyl-
  • clerodendrin
CAS Number(s)
  • 119738-57-7
InChIKey SJFTVAAHLRFBST-DBFWEQBMSA-N
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