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Toringin

CAT: 0013-GTR19260307-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19260307-03Size:100 mg
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Description
Toringin is a bioflavonoid isolated from the bark of Docyniopsis tschonoski, and have various biological activities and beneficial actions against cancers, coronary heart disease, among other pathologies.
CAS Number
1329-10-8
Purity
>98% (HPLC)
Solubility
DMSO : 100 mg/mL (240.17 mM; ultraphonic; )
Smiles
O (C1=C2C (OC (=CC2=O) C3=CC=CC=C3) =CC (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
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

5-(beta-D-Glucopyranosyloxy)-7-hydroxy-2-phenyl-4H-1-benzopyran-4-one

Toringin is a glycoside and a member of flavonoids.

CAS Number1329-10-8
PubChem CID101686456
IUPAC Name7-hydroxy-2-phenyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Molecular FormulaC21H20O9
Molecular Weight416.4
XLogP0.7
Topological Polar Surface Area146
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity646
SMILES
C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
InChI
InChI=1S/C21H20O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-15-7-11(23)6-14-17(15)12(24)8-13(28-14)10-4-2-1-3-5-10/h1-8,16,18-23,25-27H,9H2/t16-,18-,19+,20-,21-/m1/s1
InChIKey
IRHAYEHCEVRWSB-QNDFHXLGSA-N
Chemical Structure
2D Structure
2D structure of 5-(beta-D-Glucopyranosyloxy)-7-hydroxy-2-phenyl-4H-1-benzopyran-4-one
CAS: 1329-10-8
CID: 101686456
Formula: C21H20O9
MW: 416.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight416.4
XLogP30.7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass416.11073221
Monoisotopic Mass416.11073221
Topological Polar Surface Area146 Ų
Heavy Atom Count30
Formal Charge0
Complexity646
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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