5-Hydroxy-2-(3-Hydroxy-4-Methoxyphenyl)-3,6-Dimethoxy-4-Oxo-4H-Chromen-7-Yl β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C24H26O13
IUPAC Name 5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-3,6-dimethoxy-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one
Molecular Mass 522.455 g·mol−1
Heat of Formation -1965.0 ± 16.7 kJ·mol−1
Dipole Moment 6.61 ± 1.08 D
Volume 561.07 Å 3
Surface Area 478.43 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -1.01 ± eV
Point Group Symmetry C1
Synonyms
  • 4h-1-benzopyran-4-one, 7-(beta-d-glucopyranosyloxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6-dimethoxy-
  • 5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-3,6-dimethoxy-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one
  • 5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-3,6-dimethoxy-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one
  • 5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-3,6-dimethoxy-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone
  • 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6-dimethoxy-7-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone
  • centaurein
CAS Number(s)
  • 35595-03-0
InChIKey GGMCFLXPZMBJMV-NPVWYNPDSA-N
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