5-Hydroxy-2-(4-Hydroxyphenyl)-4-Oxo-4H-Chromen-7-Yl 6-O-[(2E)-3-(4-Hydroxyphenyl)-2-Propenoyl]-β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C30H26O12
IUPAC Name [(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl (e)-3-(4-hydroxyphenyl)prop-2-enoate
Molecular Mass 578.520 g·mol−1
Heat of Formation -1743.3 ± 16.7 kJ·mol−1
Dipole Moment 8.24 ± 1.08 D
Volume 633.03 Å 3
Surface Area 522.88 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -1.17 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-(4-hydroxyphenyl)acrylic acid [(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-keto-chromen-7-yl]oxy-tetrahydropyran-2-yl]methyl ester
  • (e)-3-(4-hydroxyphenyl)prop-2-enoic acid [(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-chromenyl]oxy]-2-tetrahydropyranyl]methyl ester
  • 4h-1-benzopyran-4-one, 5-hydroxy-2-(4-hydroxyphenyl)-7-((6-o-(3-(4-hydroxyphenyl)-1-oxo-2-propenyl)-beta-d-glucopyranosyl)oxy)-, (e)-
  • [(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-7-yl]oxy-oxan-2-yl]methyl (e)-3-(4-hydroxyphenyl)prop-2-enoate
  • [(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-7-yl]oxy-tetrahydropyran-2-yl]methyl (e)-3-(4-hydroxyphenyl)prop-2-enoate
  • acbglu
  • apigenin-7-o-(6''-o-4-coumaroyl)-beta-glucopyranoside
  • apigenin-7-o-beta-d-(6''-p-courmaroyl)-glucoside
CAS Number(s)
  • 105815-90-5
InChIKey WPQRDUGBKUNFJW-ZZSHFKPLSA-N
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