3-{[(2S,3S,4S,5R,6R)-3,4-Dihydroxy-6-Methoxy-5-{[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyltetrahydro-2H-Pyran-2-Yl]Oxy}Tetrahydro-2H-Pyran-2-Yl]Oxy}-2-(3,4-Dihydroxyphenyl)-5-Hydroxy-7-Methoxy-4H-Chromen-4-One

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Properties Simple | Detailed

Formula C28H32O16
IUPAC Name 3-[(2s,3s,4s,5r,6r)-3,4-dihydroxy-6-methoxy-5-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-chromen-4-one
Molecular Mass 624.544 g·mol−1
Heat of Formation -2580.5 ± 16.7 kJ·mol−1
Dipole Moment 5.87 ± 1.08 D
Volume 669.35 Å 3
Surface Area 530.36 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(2s,3s,4s,5r,6r)-3,4-dihydroxy-6-methoxy-5-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-oxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-chromen-4-one
  • 3-[(2s,3s,4s,5r,6r)-3,4-dihydroxy-6-methoxy-5-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-chromen-4-one
  • 3-[(2s,3s,4s,5r,6r)-3,4-dihydroxy-6-methoxy-5-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-chromone
  • 3-[(2s,3s,4s,5r,6r)-3,4-dihydroxy-6-methoxy-5-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one
  • 3-[[(2s,3s,4s,5r,6r)-3,4-dihydroxy-6-methoxy-5-[[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4-chromenone
  • 4h-1-benzopyran-4-one, 3-((2-o-(6-deoxy-alpha-l-mannopyranosyl)-beta-d-glucopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-
CAS Number(s)
  • 101330-77-2
InChIKey BDQAVVLZKLFTIK-KCYUVNIVSA-N
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