(2S)-5-Hydroxy-2-(4-Hydroxyphenyl)-4-Oxo-3,4-Dihydro-2H-Chromen-7-Yl 2-O-(6-Deoxy-α-D-Galactopyranosyl)-Beta-D-Glucopyranoside

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Properties Simple | Detailed

Formula C27H32O14
IUPAC Name (2s)-7-[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chroman-4-one
Molecular Mass 580.535 g·mol−1
Heat of Formation -2353.0 ± 16.7 kJ·mol−1
Dipole Moment 4.12 ± 1.08 D
Volume 634.72 Å 3
Surface Area 519.45 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy -0.45 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-7-[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-oxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chroman-4-one
  • (2s)-7-[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chroman-4-one
  • (2s)-7-[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chroman-4-one
  • (2s)-7-[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-methylol-3-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chroman-4-one
  • (2s)-7-[[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-chromanone
InChIKey DFPMSGMNTNDNHN-CSIAVLANSA-N
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