4-[3-(β-D-Glucopyranosyloxy)-5-Hydroxy-7-Methoxy-4-Oxo-4H-Chromen-2-Yl]Phenyl β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C28H33O16+
IUPAC Name 5-hydroxy-7-methoxy-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-[4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]chromen-4-one
Molecular Mass 625.552 g·mol−1
Heat of Formation -2607.1 ± 16.7 kJ·mol−1
Dipole Moment 6.09 ± 1.08 D
Volume 665.25 Å 3
Surface Area 514.65 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy -1.09 ± eV
Point Group Symmetry C1
Synonyms
  • 4h-1-benzopyran-4-one, 3-(beta-d-glucopyranosyloxy)-2-(4-(beta-d-glucopyranosyloxy)phenyl)-5-hydroxy-7-methoxy-
  • 5-hydroxy-7-methoxy-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
  • 5-hydroxy-7-methoxy-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-[4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]chromen-4-one
  • 5-hydroxy-7-methoxy-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-2-[4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxyphenyl]chromone
  • 5-hydroxy-7-methoxy-3-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-[4-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]-4-chromenone
  • complanatuside
  • rhamnocitrin-3,4'-o-diglucoside
CAS Number(s)
  • 116183-66-5
InChIKey KKPKUPKKMALLKG-QDYVESOYSA-N
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