(1R)-1,5-Anhydro-6-Deoxy-2-O-(6-Deoxy-A-L-Mannopyranosyl)-1-[5,7-Dihydroxy-2-(4-Hydroxyphenyl)-4-Oxo-4H-Chromen-6-Yl]-L-Ribo-Hex-3-Ulose

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Properties Simple | Detailed

Formula C27H29O13+
IUPAC Name 5,7-dihydroxy-6-[(2r,3r,5s,6s)-5-hydroxy-6-methyl-4-oxo-3-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]-2-(4-hydroxyphenyl)chromen-4-one
Molecular Mass 561.511 g·mol−1
Heat of Formation -2084.8 ± 16.7 kJ·mol−1
Dipole Moment 0.95 ± 1.08 D
Volume 602.55 Å 3
Surface Area 480.41 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy 2.21 ± eV
Point Group Symmetry C1
Synonyms
  • 5,7-dihydroxy-6-[(2r,3r,5s,6s)-5-hydroxy-4-keto-6-methyl-3-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]-2-(4-hydroxyphenyl)chromone
  • 5,7-dihydroxy-6-[(2r,3r,5s,6s)-5-hydroxy-6-methyl-4-oxo-3-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-oxan-2-yl]-2-(4-hydroxyphenyl)chromen-4-one
  • 5,7-dihydroxy-6-[(2r,3r,5s,6s)-5-hydroxy-6-methyl-4-oxo-3-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]-2-(4-hydroxyphenyl)chromen-4-one
  • 5,7-dihydroxy-6-[(2r,3r,5s,6s)-5-hydroxy-6-methyl-4-oxo-3-[[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]-2-(4-hydroxyphenyl)-4-chromenone
  • cassiaoccidentalin a
InChIKey KCQFNIYRJNSNLG-MTJGCPMUSA-N
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