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(E/Z) -Polydatin

CAT: 0013-GTR19171879-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19171879-01Size:200 mg
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Description
Polydatin, the glycosylated precursor to resveratrol, is a natural compound found in various plants and foods. It exhibits significant anti-inflammatory, antioxidant, and anti-tumor properties, demonstrated in research to induce cell cycle arrest and apoptosis in colorectal cancer cells during in vitro studies.
CAS Number
65914-17-2
Product Name Alternative
Cuspidatum, (E/Z) Polydatin, (E/Z) -Piceid, (E/Z) Polydatin, (E/Z) -Polydatin, Polygonum, Polydatin, PLA2
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Purity
98.00% (May vary between batches)
Solubility
DMSO:45 mg/mL (115.27 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (5.12 mM) ; Ethanol:< 1 mg/mL (insoluble or slightly soluble) ; H2O:< 1 mg/mL (insoluble or slightly soluble)
Smiles
OC[C@H]1O[C@@H] (Oc2cc (O) cc (\C=C\c3ccc (O) cc3) c2) [C@H] (O) [C@@H] (O) [C@@H]1O
Molecular Formula
C20H22O8
Molecular Weight
390.38
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Polydatin

Trans-piceid is a stilbenoid that is trans-resveratrol substituted at position 3 by a beta-D-glucosyl residue. It has a role as a geroprotector, an antioxidant, a metabolite, an anti-arrhythmia drug, a potassium channel modulator, a hepatoprotective agent and a nephroprotective agent. It is a beta-D-glucoside, a polyphenol, a stilbenoid and a monosaccharide derivative. It is functionally related to a trans-resveratrol.

CAS Number65914-17-2
PubChem CID5281718
IUPAC Name(2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular FormulaC20H22O8
Molecular Weight390.4
XLogP1.7
Topological Polar Surface Area140
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity506
SMILES
C1=CC(=CC=C1/C=C/C2=CC(=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O
InChI
InChI=1S/C20H22O8/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h1-9,16-26H,10H2/b2-1+/t16-,17-,18+,19-,20-/m1/s1
InChIKey
HSTZMXCBWJGKHG-CUYWLFDKSA-N
Chemical Structure
2D Structure
2D structure of Polydatin
CAS: 65914-17-2
CID: 5281718
Formula: C20H22O8
MW: 390.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight390.4
XLogP31.7
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass390.13146766
Monoisotopic Mass390.13146766
Topological Polar Surface Area140 Ų
Heavy Atom Count28
Formal Charge0
Complexity506
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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