3,5-Dihydroxy-4-[3-(4-Hydroxyphenyl)Propanoyl]Phenyl 2-O-(6-Deoxy-α-L-Mannopyranosyl)-Beta-D-Glucopyranoside

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Properties Simple | Detailed

Formula C27H34O14
IUPAC Name 1-[4-[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2,6-dihydroxy-phenyl]-3-(4-hydroxyphenyl)propan-1-one
Molecular Mass 582.550 g·mol−1
Heat of Formation -2483.6 ± 16.7 kJ·mol−1
Dipole Moment 4.55 ± 1.08 D
Volume 643.79 Å 3
Surface Area 521.95 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -0.62 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[4-[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-oxan-2-yl]oxy-2,6-dihydroxy-phenyl]-3-(4-hydroxyphenyl)propan-1-one
  • 1-[4-[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2,6-dihydroxy-phenyl]-3-(4-hydroxyphenyl)propan-1-one
  • 1-[4-[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)propan-1-one
  • 1-[4-[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-methylol-3-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2,6-dihydroxy-phenyl]-3-(4-hydroxyphenyl)propan-1-one
  • 1-[4-[[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]oxy]-2,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)propan-1-one
InChIKey CWBZAESOUBENAP-QVNVHUMTSA-N
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