5-Hydroxy-6-Methoxy-3-(4-Methoxyphenyl)-4-Oxo-4H-Chromen-7-Yl 6-O-β-D-Xylopyranosyl-β-D-Glucopyranoside

Molecule SVG Image

Properties Simple | Detailed

Formula C28H32O15
IUPAC Name 5-hydroxy-6-methoxy-3-(4-methoxyphenyl)-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2s,3r,4s,5r)-3,4,5-trihydroxytetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one
Molecular Mass 608.545 g·mol−1
Heat of Formation -2337.8 ± 16.7 kJ·mol−1
Dipole Moment 5.00 ± 1.08 D
Volume 664.71 Å 3
Surface Area 494.9 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy -0.82 ± eV
Point Group Symmetry C1
Synonyms
  • 4h-1-benzopyran-4-one, 5-hydroxy-6-methoxy-3-(4-methoxyphenyl)-7-((6-o-beta-d-xylopranosyl-beta-d-glucopyranosyl)oxy)-
  • 5-hydroxy-6-methoxy-3-(4-methoxyphenyl)-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-chromen-4-one
  • 5-hydroxy-6-methoxy-3-(4-methoxyphenyl)-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
  • 5-hydroxy-6-methoxy-3-(4-methoxyphenyl)-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2s,3r,4s,5r)-3,4,5-trihydroxytetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one
  • 5-hydroxy-6-methoxy-3-(4-methoxyphenyl)-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2s,3r,4s,5r)-3,4,5-trihydroxytetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromone
  • 5-hydroxy-6-methoxy-3-(4-methoxyphenyl)-7-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2s,3r,4s,5r)-3,4,5-trihydroxy-2-tetrahydropyranyl]oxymethyl]-2-tetrahydropyranyl]oxy]-4-chromenone
  • kakkalide
CAS Number(s)
  • 58274-56-9
InChIKey QTVAYNGFFDZGDR-CIJVEFAYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O