(3S)-8-Hydroxy-3-[2-(4-Methoxyphenyl)Ethyl]-1-Oxo-3,4-Dihydro-1H-Isochromen-6-Yl β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C24H28O10
IUPAC Name (3s)-8-hydroxy-3-(2-phenylethyl)-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-isochroman-1-one; methanone
Molecular Mass 476.473 g·mol−1
Heat of Formation -1675.8 ± 16.7 kJ·mol−1
Dipole Moment 6.29 ± 1.08 D
Volume 535.33 Å 3
Surface Area 467.74 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -1.00 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-8-hydroxy-3-[2-(4-methoxyphenyl)ethyl]-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-isochroman-1-one
  • (3s)-8-hydroxy-3-[2-(4-methoxyphenyl)ethyl]-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyisochroman-1-one
  • (3s)-8-hydroxy-3-[2-(4-methoxyphenyl)ethyl]-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-isochroman-1-one
  • (3s)-8-hydroxy-3-[2-(4-methoxyphenyl)ethyl]-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-isochroman-1-one
  • (3s)-8-hydroxy-3-[2-(4-methoxyphenyl)ethyl]-6-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-1-isochromanone
  • 1h-2-benzopyran-1-one, 6-(beta-d-glucopyranosyloxy)-3,4-dihydro-8-hydroxy-3-(2-(4-methoxyphenyl)ethyl)-, (s)-
  • a-6-gp
  • agrimonolide-6-o-beta-d-glucopyranoside
  • agrimonolide-6-o-glucopyranoside
CAS Number(s)
  • 126223-29-8
InChIKey GTNBYGORCDLAFG-KAJSMZSISA-N
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