4,8-Dihydroxy-6-Methoxy-9-Oxo-9H-Xanthen-1-Yl 6-O-β-D-Glucopyranosyl-β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C26H30O16
IUPAC Name 1,5-dihydroxy-3-methoxy-8-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-xanthen-9-one
Molecular Mass 598.507 g·mol−1
Heat of Formation -2585.4 ± 16.7 kJ·mol−1
Dipole Moment 5.11 ± 1.08 D
Volume 641.66 Å 3
Surface Area 515.33 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -0.79 ± eV
Point Group Symmetry C1
Synonyms
  • 1,5,8-trihydroxy-3-methoxyxanthone-8-o-beta-d-glucopyranosyl(1-6)-o-beta-d-glucopyranoside
  • 1,5-dihydroxy-3-methoxy-8-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-xanthen-9-one
  • 1,5-dihydroxy-3-methoxy-8-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyxanthen-9-one
  • 1,5-dihydroxy-3-methoxy-8-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-xanthen-9-one
  • 1,5-dihydroxy-3-methoxy-8-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-xanthone
  • 1,5-dihydroxy-3-methoxy-8-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxymethyl]-2-tetrahydropyranyl]oxy]-9-xanthenone
  • 9h-xanthen-9-one, 8-((6-o-beta-d-glucopyranosyl-beta-d-glucopyranosyl)oxy)-1,5-dihydroxy-3-methoxy-
  • swertiapuniside
CAS Number(s)
  • 143986-29-2
InChIKey FUGLBEBIZNJPSY-MYDOPKHDSA-N
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