2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-4-Oxo-4H-Chromen-3-Yl 6-O-[(2E)-3-(4-Hydroxyphenyl)-2-Propenoyl]-β-D-Galactopyranoside

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Properties Simple | Detailed

Formula C30H26O14
IUPAC Name [(2r,3r,4s,5r,6s)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-chromen-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl (e)-3-(4-hydroxyphenyl)prop-2-enoate
Molecular Mass 610.519 g·mol−1
Heat of Formation -2095.0 ± 16.7 kJ·mol−1
Dipole Moment 10.06 ± 1.08 D
Volume 664.0 Å 3
Surface Area 470.9 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy 1.90 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-(4-hydroxyphenyl)acrylic acid [(2r,3r,4s,5r,6s)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-keto-chromen-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl ester
  • (e)-3-(4-hydroxyphenyl)prop-2-enoic acid [(2r,3r,4s,5r,6s)-6-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-3-chromenyl]oxy]-3,4,5-trihydroxy-2-tetrahydropyranyl]methyl ester
  • [(2r,3r,4s,5r,6s)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-chromen-3-yl]oxy-3,4,5-trihydroxy-oxan-2-yl]methyl (e)-3-(4-hydroxyphenyl)prop-2-enoate
  • [(2r,3r,4s,5r,6s)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-chromen-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl (e)-3-(4-hydroxyphenyl)prop-2-enoate
InChIKey NBAZENYUDPJQIH-GJWMGVFBSA-N
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