2-(3,4-Dihydroxyphenyl)Ethyl 4-O-[(2E)-3-(3,4-Dihydroxyphenyl)-2-Propenoyl]-3-O-β-D-Glucopyranosyl-β-D-Glucopyranoside

Molecule SVG Image

Properties Simple | Detailed

Formula C17H8O16
IUPAC Name 2-[5-(2-hydroxyethynoxy)-3-oxo-6-(oxomethylene)pyran-4-yl]oxy-6-(oxomethylene)tetrahydropyran-3,4,5-trione; molecular oxygen; prop-1-yn-1-ol
Molecular Mass 468.236 g·mol−1
Heat of Formation -2701.4 ± 16.7 kJ·mol−1
Dipole Moment 5.35 ± 1.08 D
Volume 714.05 Å 3
Surface Area 555.76 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -0.88 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-(3,4-dihydroxyphenyl)acrylic acid [(2r,3r,4r,5r,6r)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-methylol-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl] ester
  • (e)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid [(2r,3r,4r,5r,6r)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-3-tetrahydropyranyl] ester
  • 3,4-dihydroxy-beta-phenethyl-o-beta-d-glucopyranosyl-(1-->3)-4-o-caffeoyl-beta-d-glucopyranoside
  • [(2r,3r,4r,5r,6r)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-3-yl] (e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
  • [(2r,3r,4r,5r,6r)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl] (e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
  • [(2r,3r,4r,5r,6r)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl] (e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
  • plantamajoside
CAS Number(s)
  • 104777-68-6
InChIKey KFEFLPDKISUVNR-QJEHNBJNSA-N
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