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Aucubin

CAT: 1410-M18606-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1410-M18606-03Size:10 mg
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Description
Aucubin is an iridoid glycoside with anti-inflammatory, anti-microbial, anti-algesic as well as anti-tumor activities.
CAS Number
479-98-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
346.33
Molecular Formula
C15H22O9
Notes
Research use only, not for human use.
Receptor
IL-1β| NF-κB

Chemical Information

Aucubin

Aucubin is an organic molecular entity. It has a role as a metabolite.

CAS Number479-98-1
PubChem CID91458
IUPAC Name(2S,3R,4S,5S,6R)-2-[[(1S,4aR,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular FormulaC15H22O9
Molecular Weight346.33
XLogP-3
Topological Polar Surface Area149
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity507
SMILES
C1=CO[C@H]([C@H]2[C@@H]1[C@@H](C=C2CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI
InChI=1S/C15H22O9/c16-4-6-3-8(18)7-1-2-22-14(10(6)7)24-15-13(21)12(20)11(19)9(5-17)23-15/h1-3,7-21H,4-5H2/t7-,8+,9+,10+,11+,12-,13+,14-,15-/m0/s1
InChIKey
RJWJHRPNHPHBRN-FKVJWERZSA-N
Chemical Structure
2D Structure
2D structure of Aucubin
CAS: 479-98-1
CID: 91458
Formula: C15H22O9
MW: 346.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight346.33
XLogP3-3
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass346.12638228
Monoisotopic Mass346.12638228
Topological Polar Surface Area149 Ų
Heavy Atom Count24
Formal Charge0
Complexity507
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
MA08296-01Aucubin
HY-N0664R-01Aucubin (Standard)
A12294-50Aucubin 50mg
A12294-25Aucubin 25mg
A12294-10Aucubin 10mg
A12294-5Aucubin 5mg
AR-A07488-01Aucubin Impurity 2
AR-A07487-01Aucubin Impurity 1
AR-A07489-01Aucubin Impurity 3
AR-A07490-01Aucubin Impurity 4 (Bartsiosid)

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