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Sissotrin

CAT: 0013-GTR19180568-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19180568-01Size:1 mg
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Description
Sissotrin is an isoflavone glycoside isolated from Pterospartum tridentatum, exhibiting notable antioxidant and antimicrobial properties. It is utilized in biochemical research to study oxidative stress and microbial resistance, with applications in both in vitro cell-based assays and in vivo pharmacological models.
CAS Number
5928-26-7
Field of Research
Infectious Disease & Virology, Metabolism Research
Smiles
O=C1C=2C (=CC (O[C@@H]3O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]3O) =CC2O) OC=C1C4=CC=C (OC) C=C4
Molecular Formula
C22H22O10
Molecular Weight
446.4
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Sissotrin

Biochanin A 7-O-beta-D-glucoside is a glycosyloxyisoflavone that is biochanin A attached to a beta-D-glucopyranosyl residue at position 7 via glycosidic linkage. It has a role as a plant metabolite and a phytoestrogen. It is a member of 4'-methoxyisoflavones, a 7-hydroxyisoflavones 7-O-beta-D-glucoside and a hydroxyisoflavone. It is functionally related to a biochanin A. It is a conjugate acid of a biochanin A 7-O-beta-D-glucoside(1-).

CAS Number5928-26-7
PubChem CID5280781
IUPAC Name5-hydroxy-3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Molecular FormulaC22H22O10
Molecular Weight446.4
XLogP1.2
Topological Polar Surface Area155
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity690
SMILES
COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI
InChI=1S/C22H22O10/c1-29-11-4-2-10(3-5-11)13-9-30-15-7-12(6-14(24)17(15)18(13)25)31-22-21(28)20(27)19(26)16(8-23)32-22/h2-7,9,16,19-24,26-28H,8H2,1H3/t16-,19-,20+,21-,22-/m1/s1
InChIKey
LFEUICHQZGNOHD-RECXWPGBSA-N
Chemical Structure
2D Structure
2D structure of Sissotrin
CAS: 5928-26-7
CID: 5280781
Formula: C22H22O10
MW: 446.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight446.4
XLogP31.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass446.12129689
Monoisotopic Mass446.12129689
Topological Polar Surface Area155 Ų
Heavy Atom Count32
Formal Charge0
Complexity690
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

Alternative Products

CatalogName
M29345Sissotrin
AR-S10453-01Sissotrin 6''-O-malonate

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