5,7-Dihydroxy-2-(4-Methoxyphenyl)-8-(3-Methyl-2-Buten-1-Yl)-4-Oxo-4H-Chromen-3-Yl 6-Deoxy-4-O-β-D-Glucopyranosyl-Alpha-L-Mannopyranoside

Molecule SVG Image

Properties Simple | Detailed

Formula C33H40O15
IUPAC Name 2-[4,5-dioxo-2-(oxomethylene)tetrahydropyran-3-yl]oxy-6-(oxomethylene)tetrahydropyran-3,4,5-trione; 6-methylenetetrahydropyran-2,3,4,5-tetrone
Molecular Mass 676.662 g·mol−1
Heat of Formation -2540.3 ± 16.7 kJ·mol−1
Dipole Moment 5.43 ± 1.08 D
Volume 758.49 Å 3
Surface Area 557.16 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy -0.95 ± eV
Point Group Symmetry C1
Synonyms
  • 3,5,7-(trihydroxy)-4'-methoxyl-8-prenylflavone-3-o-rhamnopyranosyl(4-1)-glucopyranoside
  • 3-[(2s,3r,4s,5r,6s)-3,4-dihydroxy-6-methyl-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one
  • 3-[(2s,3r,4s,5r,6s)-3,4-dihydroxy-6-methyl-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one
  • 3-[(2s,3r,4s,5r,6s)-3,4-dihydroxy-6-methyl-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one
  • 3-[(2s,3r,4s,5r,6s)-3,4-dihydroxy-6-methyl-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromone
  • 3-[[(2s,3r,4s,5r,6s)-3,4-dihydroxy-6-methyl-5-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]oxy]-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-4-chromenone
  • 4h-1-benzopyran-4-one, 3-((6-deoxy-4-o-beta-d-glucopyranosyl-alpha-l-mannopyranosyl)oxy)-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-butenyl)-
  • baohuoside vii
CAS Number(s)
  • 119730-89-1
InChIKey VCWUZNQATFVWGL-ITFJRHMYSA-N
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