4-[(E)-2-(3,5-Dihydroxyphenyl)Vinyl]Phenyl 6-O-(3,4,5-Trihydroxybenzoyl)-β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C27H26O12
IUPAC Name [(2r,3s,4s,5r,6s)-6-[4-[(e)-2-(3,5-dihydroxyphenyl)vinyl]phenoxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl 3,4,5-trihydroxybenzoate
Molecular Mass 542.488 g·mol−1
Heat of Formation -1827.3 ± 16.7 kJ·mol−1
Dipole Moment 4.27 ± 1.08 D
Volume 604.99 Å 3
Surface Area 446.17 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C1
Synonyms
  • 3,4,5-trihydroxybenzoic acid [(2r,3s,4s,5r,6s)-6-[4-[(e)-2-(3,5-dihydroxyphenyl)vinyl]phenoxy]-3,4,5-trihydroxy-2-tetrahydropyranyl]methyl ester
  • 3,4,5-trihydroxybenzoic acid [(2r,3s,4s,5r,6s)-6-[4-[(e)-2-(3,5-dihydroxyphenyl)vinyl]phenoxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl ester
  • 3,5,4'-trihydroxystilbene-4'-(6''-galloyl)-glucoside
  • [(2r,3s,4s,5r,6s)-6-[4-[(e)-2-(3,5-dihydroxyphenyl)ethenyl]phenoxy]-3,4,5-trihydroxy-oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
  • [(2r,3s,4s,5r,6s)-6-[4-[(e)-2-(3,5-dihydroxyphenyl)ethenyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
  • [(2r,3s,4s,5r,6s)-6-[4-[(e)-2-(3,5-dihydroxyphenyl)vinyl]phenoxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl 3,4,5-trihydroxybenzoate
  • acon1_000309
  • megxp0_001471
InChIKey HQQSMUBDNVIUPF-XMPPFBFMSA-N
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