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Home > Encyclopedia > 7-[(2S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,8-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

7-[(2S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,8-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

7-[(2S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,8-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one structure

7-[(2S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,8-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one 

structure
  • CAS No:

    96627-12-2

  • Formula:

    C27H30O16

  • Chemical Name:

    7-[(2S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,8-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

  • Synonyms:

    iso-scutellarein-7-(allosyl(1-2)glucoside);isoscutellarein-7-O-(allosyl(1-2)glucoside);96627-12-2;ISCAG;DTXSID40914410;Iso-scutellarein-7-(allosyl(1-2)glucoside);Isoscutellarein-7-O-(allosyl(1-2)glucoside);4H-1-Benzopyran-4-one, 7-((2-O-beta-D-allopyranosyl-beta-D-glucopyranosyl)oxy)-5,8-dihydroxy-2-(4-hydroxyphenyl)-;5,8-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 2-O-hexopyranosylhexopyranoside;7-((2-O-beta-D-allopyranosyl-beta-D-glucopyranosyl)oxy)-5,8-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one

7-[(2S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,8-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one Basic Attributes

610.5 g/mol

610.15338487 g/mol

Characteristics

266 Ų

Drug Information

iso-scutellarein-7-(allosyl(1-2)glucoside)

Computed Properties

Molecular Weight:610.5
XLogP3:-1.1
Hydrogen Bond Donor Count:10
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:7
Exact Mass:610.15338487
Monoisotopic Mass:610.15338487
Topological Polar Surface Area:266
Heavy Atom Count:43
Complexity:988
Defined Atom Stereocenter Count:9
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of 7-[(2S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,8-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

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