5-Hydroxy-2-(4-Hydroxyphenyl)-6-Methoxy-4-Oxo-4H-Chromen-7-Yl β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C22H22O11
IUPAC Name 5-hydroxy-6-methoxy-2-(4-oxocyclohexa-2,5-dien-1-yl)-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one
Molecular Mass 462.403 g·mol−1
Heat of Formation -1682.6 ± 16.7 kJ·mol−1
Dipole Moment 2.32 ± 1.08 D
Volume 502.5 Å 3
Surface Area 428.34 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -1.36 ± eV
Point Group Symmetry C1
Synonyms
  • 5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one
  • 5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
  • 5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one
  • 5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone
  • 5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-7-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone
  • acon1_000166
  • homoplantaginin
  • megxp0_000164
InChIKey GCLAFEGUXXHIFT-IWLDQSELSA-N
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