5,7-Dihydroxy-2-(3-Hydroxy-4-Methoxyphenyl)-4-Oxo-4H-Chromen-3-Yl 2-O-β-D-Glucopyranosyl-β-D-Galactopyranoside

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Properties Simple | Detailed

Formula C28H32O17
IUPAC Name (2r)-5-(2-hydroxyethynyl)-6',8-bis(oxomethylene)spiro[6a,10a-dihydropyrano[2,3-e][1,2,4,7]tetraoxocine-2,2'-tetrahydropyran]-3',4',5',9,10-pentone; molecular oxygen; hydrate
Molecular Mass 640.543 g·mol−1
Heat of Formation -2834.0 ± 16.7 kJ·mol−1
Dipole Moment 1.46 ± 1.08 D
Volume 677.39 Å 3
Surface Area 497.85 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy -0.96 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(2s,3r,4s,5r,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-5,7-dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)chromen-4-one
  • 3-[(2s,3r,4s,5r,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-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one
  • 3-[(2s,3r,4s,5r,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-5,7-dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)chromen-4-one
  • 3-[(2s,3r,4s,5r,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-5,7-dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)chromone
  • 3-[[(2s,3r,4s,5r,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]oxy]-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-chromenone
  • 4h-1-benzopyran-4-one, 3-((2-o-beta-d-glucopyranosyl-beta-d-galactopyranosyl)oxy)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-
  • thesioideoside
CAS Number(s)
  • 145937-28-6
InChIKey QWTDVAZCZORTDT-QBUVXBDPSA-N
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