5,7-Dihydroxy-2-(4-Hydroxyphenyl)-4-Oxo-4H-Chromen-3-Yl 4-O-(6-O-Acetyl-β-D-Glucopyranosyl)-6-Deoxy-β-D-Gulopyranoside

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Properties Simple | Detailed

Formula C29H32O16
IUPAC Name [(2r,3s,4s,5r,6s)-6-[(2r,3r,4s,5r,6s)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-3-yl]oxy-4,5-dihydroxy-2-methyl-tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl acetate
Molecular Mass 636.555 g·mol−1
Heat of Formation -2673.3 ± 16.7 kJ·mol−1
Dipole Moment 4.78 ± 1.08 D
Volume 689.37 Å 3
Surface Area 518.78 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -0.98 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4s,5r,6s)-6-[(2r,3r,4s,5r,6s)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-3-yl]oxy-4,5-dihydroxy-2-methyl-oxan-3-yl]oxy-3,4,5-trihydroxy-oxan-2-yl]methyl ethanoate
  • [(2r,3s,4s,5r,6s)-6-[(2r,3r,4s,5r,6s)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-3-yl]oxy-4,5-dihydroxy-2-methyl-tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl acetate
  • acetic acid [(2r,3s,4s,5r,6s)-6-[(2r,3r,4s,5r,6s)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-keto-chromen-3-yl]oxy-4,5-dihydroxy-2-methyl-tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl ester
  • acetic acid [(2r,3s,4s,5r,6s)-6-[[(2r,3r,4s,5r,6s)-6-[[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3-chromenyl]oxy]-4,5-dihydroxy-2-methyl-3-tetrahydropyranyl]oxy]-3,4,5-trihydroxy-2-tetrahydropyranyl]methyl ester
InChIKey KXOPSQZLBRPJGX-HUPILUNVSA-N
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