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Isocarlinoside

CAT: 0926-IDA15190-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-IDA15190-02Size:25 mg
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CAS Number
83151-90-0
Smiles
CC (C) C (C (=O) N1CCC (CC1) CN (C) C (=O) OCC2=CC=CC=C2) N
Molecular Formula
C26H28O15
Molecular Weight
580.50 g/mol
Controlled
No

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
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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
MBS5787179Isocarlinoside

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