5-Hydroxy-2-Methyl-4-Oxo-4H-Benzo[G]Chromen-6-Yl β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C20H20O9
IUPAC Name 5-hydroxy-2-methyl-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-benzo[g]chromen-4-one
Molecular Mass 404.367 g·mol−1
Heat of Formation -1373.4 ± 16.7 kJ·mol−1
Dipole Moment 6.33 ± 1.08 D
Volume 441.62 Å 3
Surface Area 373.91 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
Synonyms
  • 4h-naphtho(2,3-b)pyran-4-one, 6-(beta-d-glucopyranosyloxy)-5-hydroxy-2-methyl-
  • 5-hydroxy-2-methyl-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-benzo[g]chromen-4-one
  • 5-hydroxy-2-methyl-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzo[g]chromen-4-one
  • 5-hydroxy-2-methyl-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-benzo[g]chromen-4-one
  • 5-hydroxy-2-methyl-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-benzo[g]chromen-4-one
  • 5-hydroxy-2-methyl-6-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-benzo[g]chromenone
  • cassiaside a
CAS Number(s)
  • 123914-49-8
InChIKey SBVZTBIAKFTNIJ-CZNQJBLBSA-N
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