7-Hydroxy-2-(4-Hydroxyphenyl)-4-Oxo-4H-Chromen-5-Yl 6-O-Acetyl-4-O-(6-Deoxy-α-L-Mannopyranosyl)-Beta-D-Glucopyranoside

Molecule SVG Image

Properties Simple | Detailed

Formula C29H32O15
IUPAC Name [(2r,3s,4r,5r,6s)-4,5-dihydroxy-6-[7-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-5-yl]oxy-3-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl acetate
Molecular Mass 620.555 g·mol−1
Heat of Formation -2489.5 ± 16.7 kJ·mol−1
Dipole Moment 7.42 ± 1.08 D
Volume 678.86 Å 3
Surface Area 548.38 Å 2
HOMO Energy -9.41 ± 0.55 eV
LUMO Energy -0.88 ± eV
Point Group Symmetry C1
Synonyms
  • 4h-1-benzopyran-4-one, 5-((6-o-acetyl-4-o-(6-deoxy-alpha-l-mannopyranosyl)-beta-d-glucopyranosyl)oxy)-7-hydroxy-2-(4-hydroxyphenyl)-
  • [(2r,3s,4r,5r,6s)-4,5-dihydroxy-6-[7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-5-yl]oxy-3-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-oxan-2-yl]methyl ethanoate
  • [(2r,3s,4r,5r,6s)-4,5-dihydroxy-6-[7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-5-yl]oxy-3-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl acetate
  • acetic acid [(2r,3s,4r,5r,6s)-4,5-dihydroxy-6-[7-hydroxy-2-(4-hydroxyphenyl)-4-keto-chromen-5-yl]oxy-3-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl ester
  • acetic acid [(2r,3s,4r,5r,6s)-4,5-dihydroxy-6-[[7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-5-chromenyl]oxy]-3-[[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]methyl ester
CAS Number(s)
  • 109232-77-1
InChIKey RHJULGLSOARXMO-YXRGHUGASA-N
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