9,10-Anthracenedione, 1-((6-O-β-D-Glucopyranosyl-β-D-Glucopyranosyl)Oxy)-8-Hydroxy-3-Methoxy-6-Methyl-

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Properties Simple | Detailed

Formula C28H32O15
IUPAC Name 1-hydroxy-6-methoxy-3-methyl-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-anthracene-9,10-dione
Molecular Mass 608.545 g·mol−1
Heat of Formation -2507.2 ± 16.7 kJ·mol−1
Dipole Moment 3.05 ± 1.08 D
Volume 660.77 Å 3
Surface Area 508.94 Å 2
HOMO Energy -9.45 ± 0.55 eV
LUMO Energy -1.68 ± eV
Point Group Symmetry C1
Synonyms
  • 1-hydroxy-6-methoxy-3-methyl-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-anthracene-9,10-dione
  • 1-hydroxy-6-methoxy-3-methyl-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]oxyanthracene-9,10-dione
  • 1-hydroxy-6-methoxy-3-methyl-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-anthracene-9,10-dione
  • 1-hydroxy-6-methoxy-3-methyl-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-9,10-anthraquinone
  • 1-hydroxy-6-methoxy-3-methyl-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]anthracene-9,10-dione
  • 8-hydroxy-3-methoxy-6-methyl-9,10-dioxo-9,10-dihydroanthracen-1-yl 6-o-beta-d-glucopyranosyl-beta-d-glucopyranoside
  • lmpk02000041
  • physcion 8-gentiobioside
  • physcion 8-o-beta-d-gentiobioside
  • physcion diglucoside
  • physciondiglucoside
CAS Number(s)
  • 84268-38-2
InChIKey YMXXCMGLMRYEQD-BFTLVBKUSA-N
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