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6''-O-Acetylglycitin

CAT: 0957-E7626Size: 1 mgDry Ice: YesHazardous: No
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CAT#:0957-E7626Size:1 mg
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Description
6''-O-Acetylglycitin, a acetyl glucoside, is one of the isoflavone isomer in soybeans, shows various extents of content reduction dependent on storage temperature, packaging condition, and its isoflavone isomer kind.
CAS Number
134859-96-4
Storage Conditions
3 years-20°C powder 2 years-80°C in solvent

Chemical Information

6''-O-Acetylglycitin

Glycitein 7-(6-O-acetyl-beta-D-glucoside) is a glycosyloxyisoflavone that is glycitin carrying an acetyl substituent at position 6 on the glucose moiety. It has a role as a plant metabolite. It is a beta-D-glucoside, a hydroxyisoflavone, a methoxyisoflavone, an acetate ester, an O-acyl carbohydrate, a monosaccharide derivative and a glycosyloxyisoflavone. It is functionally related to a glycitin.

CAS Number134859-96-4
PubChem CID10228095
IUPAC Name[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxyoxan-2-yl]methyl acetate
Molecular FormulaC24H24O11
Molecular Weight488.4
XLogP0.7
Topological Polar Surface Area161
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Heavy Atom Count35
Formal Charge0
Complexity792
SMILES
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C(C=C3C(=C2)OC=C(C3=O)C4=CC=C(C=C4)O)OC)O)O)O
InChI
InChI=1S/C24H24O11/c1-11(25)32-10-19-21(28)22(29)23(30)24(35-19)34-18-8-16-14(7-17(18)31-2)20(27)15(9-33-16)12-3-5-13(26)6-4-12/h3-9,19,21-24,26,28-30H,10H2,1-2H3/t19-,21-,22+,23-,24-/m1/s1
InChIKey
DUBPGEJGGVZKDD-PFKOEMKTSA-N
Chemical Structure
2D Structure
2D structure of 6''-O-Acetylglycitin
CAS: 134859-96-4
CID: 10228095
Formula: C24H24O11
MW: 488.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight488.4
XLogP30.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Exact Mass488.13186158
Monoisotopic Mass488.13186158
Topological Polar Surface Area161 Ų
Heavy Atom Count35
Formal Charge0
Complexity792
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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