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(E) -Tadehaginoside

CAT: 0013-GTR19266262-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19266262-02Size:50 mg
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Description
(E) -Tadehaginoside is the E isomer of Tadehaginoside, a phenylpropanoid glycoside. It plays a role in modulating lipogenesis and glucose consumption, while exhibiting antioxidant properties. By regulating the Nrf2 and NF-κB signaling pathways in hepatocytes, Tadehaginoside contributes to liver protection, preventing oxidative stress damage and inflammation. It is utilized in studies on obesity and diabetes.
CAS Number
283176-41-0
Field of Research
Immunology & Inflammation, Signal Transduction
Smiles
O ([C@@H]1O[C@H] (COC (/C=C/C2=CC=C (O) C=C2) =O) [C@@H] (O) [C@H] (O) [C@H]1O) C3=CC (O) =CC (O) =C3
Molecular Formula
C21H22O10
Molecular Weight
434.39
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Tadehaginoside
CAS Number283176-41-0
PubChem CID5321781
IUPAC Name[(2R,3S,4S,5R,6S)-6-(3,5-dihydroxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Molecular FormulaC21H22O10
Molecular Weight434.4
XLogP1.1
Topological Polar Surface Area166
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity595
SMILES
C1=CC(=CC=C1/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=CC(=C3)O)O)O)O)O)O
InChI
InChI=1S/C21H22O10/c22-12-4-1-11(2-5-12)3-6-17(25)29-10-16-18(26)19(27)20(28)21(31-16)30-15-8-13(23)7-14(24)9-15/h1-9,16,18-24,26-28H,10H2/b6-3+/t16-,18-,19+,20-,21-/m1/s1
InChIKey
XUJRENMDCSKMFE-JSYAWONVSA-N
Chemical Structure
2D Structure
2D structure of Tadehaginoside
CAS: 283176-41-0
CID: 5321781
Formula: C21H22O10
MW: 434.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight434.4
XLogP31.1
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass434.12129689
Monoisotopic Mass434.12129689
Topological Polar Surface Area166 Ų
Heavy Atom Count31
Formal Charge0
Complexity595
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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