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Chrysin 8-C-glucoside

CAT: 0013-GTR19181853Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19181853Size:5 mg
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Description
Chrysin 8-C-glucoside (CAS 160880-89-7) is a bioactive flavonoid used in life science research. It serves as a reference standard and is investigated in vitro for its potential antioxidant and anti-inflammatory properties.
CAS Number
160880-89-7
Smiles
OC=1C (=C2C (C (=O) C=C (O2) C3=CC=CC=C3) =C (O) C1) [C@@H]4O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]4O
Molecular Formula
C21H20O9
Molecular Weight
416.38
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

8-C-glucosyl chrysin
CAS Number160880-89-7
PubChem CID90658886
IUPAC Name5,7-dihydroxy-2-phenyl-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
Molecular FormulaC21H20O9
Molecular Weight416.4
XLogP0.6
Topological Polar Surface Area157
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count30
Formal Charge0
Complexity661
SMILES
C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI
InChI=1S/C21H20O9/c22-8-14-17(26)18(27)19(28)21(30-14)16-11(24)6-10(23)15-12(25)7-13(29-20(15)16)9-4-2-1-3-5-9/h1-7,14,17-19,21-24,26-28H,8H2/t14-,17-,18+,19-,21+/m1/s1
InChIKey
PFJBHVURUOQVHW-VPRICQMDSA-N
Chemical Structure
2D Structure
2D structure of 8-C-glucosyl chrysin
CAS: 160880-89-7
CID: 90658886
Formula: C21H20O9
MW: 416.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight416.4
XLogP30.6
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass416.11073221
Monoisotopic Mass416.11073221
Topological Polar Surface Area157 Ų
Heavy Atom Count30
Formal Charge0
Complexity661
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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