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(2S,3S) - (-) -Glucodistylin

CAT: 0013-GTR19182551Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19182551Size:1 mg
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Description
(2S,3S) - (-) -Glucodistylin
CAS Number
129212-92-6
Smiles
OC[C@H]1O[C@@H] (O[C@H]2[C@@H] (Oc3cc (O) cc (O) c3C2=O) c2ccc (O) c (O) c2) [C@H] (O) [C@@H] (O) [C@@H]1O
Molecular Formula
C21H22O12
Molecular Weight
466.39
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Taxifolin-3-glucopyranoside

(2S,3S)-(-)-Glucodistylin has been reported in Fagus sylvatica, Morus alba, and other organisms with data available.

CAS Number129212-92-6
PubChem CID3035567
IUPAC Name(2S,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
Molecular FormulaC21H22O12
Molecular Weight466.4
XLogP-0.1
Topological Polar Surface Area207
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count12
Rotatable Bond Count4
Heavy Atom Count33
Formal Charge0
Complexity692
SMILES
C1=CC(=C(C=C1[C@H]2[C@@H](C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O
InChI
InChI=1S/C21H22O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-27,29-30H,6H2/t13-,15-,17+,18-,19+,20-,21+/m1/s1
InChIKey
FVQOMEDMFUMIMO-FHVPTPGYSA-N
Chemical Structure
2D Structure
2D structure of Taxifolin-3-glucopyranoside
CAS: 129212-92-6
CID: 3035567
Formula: C21H22O12
MW: 466.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight466.4
XLogP3-0.1
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count12
Rotatable Bond Count4
Exact Mass466.11112613
Monoisotopic Mass466.11112613
Topological Polar Surface Area207 Ų
Heavy Atom Count33
Formal Charge0
Complexity692
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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