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Isocarlinoside

CAT: 0013-GTR19181325-02Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19181325-02Size:1 ml x 10 mM (in DMSO)
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Description
Isocarlinoside is a di-C-glycosylflavone compound isolated from the plant Lespedeza capitata. This natural product is utilized in biochemical research for investigating flavonoid properties and has shown potential for in vitro studies on antioxidant and anti-inflammatory activities.
CAS Number
83151-90-0
Smiles
OC=1C (=C2C (=C (O) C1[C@H]3[C@H] (O) [C@@H] (O) [C@@H] (O) CO3) C (=O) C=C (O2) C4=CC (O) =C (O) C=C4) [C@@H]5O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]5O
Molecular Formula
C26H28O15
Molecular Weight
580.49
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Isocarlinoside

6-C-alpha-L-arabinopyranosyl-8-C-beta-D-glucosylluteolin is a C-glycosyl compound that is luteolin substituted at positions 6 and 8 by alpha-L-arabinopyranosyl and beta-D-glucosyl residues respectively. It has a role as a metabolite. It is a C-glycosyl compound and a tetrahydroxyflavone. It is functionally related to a luteolin.

CAS Number83151-90-0
PubChem CID21576182
IUPAC Name2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one
Molecular FormulaC26H28O15
Molecular Weight580.5
XLogP-2.5
Topological Polar Surface Area267
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count15
Rotatable Bond Count4
Heavy Atom Count41
Formal Charge0
Complexity979
SMILES
C1[C@@H]([C@@H]([C@H]([C@@H](O1)C2=C(C(=C3C(=C2O)C(=O)C=C(O3)C4=CC(=C(C=C4)O)O)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O
InChI
InChI=1S/C26H28O15/c27-5-13-18(33)21(36)23(38)26(41-13)16-20(35)15(25-22(37)17(32)11(31)6-39-25)19(34)14-10(30)4-12(40-24(14)16)7-1-2-8(28)9(29)3-7/h1-4,11,13,17-18,21-23,25-29,31-38H,5-6H2/t11-,13+,17-,18+,21-,22+,23+,25-,26-/m0/s1
InChIKey
WYYFCTVKFALPQV-VYUBKLCTSA-N
Chemical Structure
2D Structure
2D structure of Isocarlinoside
CAS: 83151-90-0
CID: 21576182
Formula: C26H28O15
MW: 580.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight580.5
XLogP3-2.5
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count15
Rotatable Bond Count4
Exact Mass580.14282018
Monoisotopic Mass580.14282018
Topological Polar Surface Area267 Ų
Heavy Atom Count41
Formal Charge0
Complexity979
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TN4270-01Isocarlinoside

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