2-(3,4-Dihydroxyphenyl)-5-Ethoxy-7-Hydroxy-4-Oxo-4H-Chromen-3-Yl 6-O-(6-Deoxy-α-L-Mannopyranosyl)-Beta-D-Glucopyranoside

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Formula C29H35O16+
IUPAC Name 2-(3,4-dihydroxyphenyl)-5-ethoxy-7-hydroxy-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one
Molecular Mass 639.579 g·mol−1
Heat of Formation -2609.6 ± 16.7 kJ·mol−1
Dipole Moment 3.04 ± 1.08 D
Volume 710.13 Å 3
Surface Area 508.71 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(3,4-dihydroxyphenyl)-5-ethoxy-7-hydroxy-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxymethyl]oxan-2-yl]oxy-chromen-4-one
  • 2-(3,4-dihydroxyphenyl)-5-ethoxy-7-hydroxy-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one
  • 2-(3,4-dihydroxyphenyl)-5-ethoxy-7-hydroxy-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromone
  • 2-(3,4-dihydroxyphenyl)-5-ethoxy-7-hydroxy-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
  • 2-(3,4-dihydroxyphenyl)-5-ethoxy-7-hydroxy-3-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxymethyl]-2-tetrahydropyranyl]oxy]-4-chromenone
  • 2-ethylrutoside
  • 4h-1-benzopyran-4-one, 3-((6-o-(6-deoxy-alpha-l-mannopyranosyl)-beta-d-glucopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, monoethyl ether
  • ortho-ethylrutoside
CAS Number(s)
  • 36057-92-8
InChIKey UBTWOFZUTQOWHX-BDAFLREQSA-N
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