Secoisolariciresinol Diglucoside

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Formula C32H46O16
IUPAC Name (2r,3r,4s,5r,6r)-2-[(2r,3r)-2,3-bis[(3-methoxy-4-oxido-benzene-2,5,6-triid-1-yl)methyl]-4-[(2r,3r,4s,5s,6r)-3,4,5-trioxido-6-(oxidomethyl)tetrahydropyran-2-yl]oxy-butoxy]-6-(oxidomethyl)tetrahydropyran-6-ide-3,4,5-triolate
Molecular Mass 686.698 g·mol−1
Heat of Formation -2782.7 ± 16.7 kJ·mol−1
Dipole Moment 4.46 ± 1.08 D
Volume 804.68 Å 3
Surface Area 577.88 Å 2
HOMO Energy -8.40 ± 0.55 eV
LUMO Energy 0.21 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5s,6r)-2-[(2r,3r)-2,3-bis(4-hydroxy-3-methoxy-benzyl)-4-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-butoxy]-6-methylol-tetrahydropyran-3,4,5-triol
  • (2r,3r,4s,5s,6r)-2-[(2r,3r)-2,3-bis[(4-hydroxy-3-methoxy-phenyl)methyl]-4-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-butoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
  • (2r,3r,4s,5s,6r)-2-[(2r,3r)-2,3-bis[(4-hydroxy-3-methoxy-phenyl)methyl]-4-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-butoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
  • (2r,3r,4s,5s,6r)-2-[(2r,3r)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]-4-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
  • (2r,3r,4s,5s,6r)-2-[(2r,3r)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]-4-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]butoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
InChIKey SBVBJPHMDABKJV-PGCJWIIOSA-N
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