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Ciceritol

CAT: 0013-GTR19279236-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19279236-02Size:50 mg
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Description
Ciceritol is a dietary fiber component/prebiotic that targets oligosaccharides with α-galactosidic bonds. It selectively promotes the proliferation of beneficial bacteria, such as Bifidobacteria. Ciceritol shows promise for research into gut microbiota-related conditions, including irritable bowel syndrome and metabolic syndrome.
CAS Number
88167-26-4
Smiles
OCC1OC (OCC2OC (OC3C (O) C (O) C (O) C (OC) C3O) C (O) C (O) C2O) C (O) C (O) C1O
Molecular Formula
C19H34O16
Molecular Weight
518.47
Notes
For research use only.

Chemical Information

Ciceritol

Ciceritol is a glycoside.

CAS Number88167-26-4
PubChem CID10142653
IUPAC Name(1S,2R,3S,4R,5S,6S)-4-methoxy-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycyclohexane-1,2,3,5-tetrol
Molecular FormulaC19H34O16
Molecular Weight518.5
XLogP-6.9
Topological Polar Surface Area269
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count16
Rotatable Bond Count7
Heavy Atom Count35
Formal Charge0
Complexity671
SMILES
CO[C@@H]1[C@H]([C@H]([C@@H]([C@@H]([C@H]1O)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O)O)O)O
InChI
InChI=1S/C19H34O16/c1-31-16-11(26)10(25)12(27)17(15(16)30)35-19-14(29)9(24)7(22)5(34-19)3-32-18-13(28)8(23)6(21)4(2-20)33-18/h4-30H,2-3H2,1H3/t4-,5-,6+,7+,8+,9+,10-,11+,12+,13-,14-,15+,16-,17+,18+,19-/m1/s1
InChIKey
ATDWJHOSZLOQDJ-LMKXGGCJSA-N
Chemical Structure
2D Structure
2D structure of Ciceritol
CAS: 88167-26-4
CID: 10142653
Formula: C19H34O16
MW: 518.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight518.5
XLogP3-6.9
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count16
Rotatable Bond Count7
Exact Mass518.18468499
Monoisotopic Mass518.18468499
Topological Polar Surface Area269 Ų
Heavy Atom Count35
Formal Charge0
Complexity671
Isotope Atom Count0
Defined Atom Stereocenter Count16
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-N16477Ciceritol

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