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Betulalbuside A

CAT: 0804-HY-N2933Size: 1 EachDry Ice: NoHazardous: No
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Description
Betulalbuside A is a monoterpene glucoside found in Viburnum lantana that has anti-inflammatory activity[1].
CAS Number
64776-96-1
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/betulalbuside-a.html
Solubility
10 mM in DMSO
Smiles
C=C[C@](C)(O)CC/C=C(C)/CO[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO
Molecular Formula
C16H28O7
Molecular Weight
332.39
References & Citations
[1]D Manns, et al. Monoterpene Glucosides from Cunila spicata. Planta Med. 1994 Oct;60 (5) :467-9.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Betulalbuside A

(2R,3R,4S,5S,6R)-2-{[(2E,6R)-6-hydroxy-2,6-dimethylocta-2,7-dien-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol has been reported in Breynia vitis-idaea, Viburnum lantana, and other organisms with data available.

CAS Number64776-96-1
PubChem CID10382095
IUPAC Name(2R,3R,4S,5S,6R)-2-[(2E,6R)-6-hydroxy-2,6-dimethylocta-2,7-dienoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular FormulaC16H28O7
Molecular Weight332.39
XLogP-0.3
Topological Polar Surface Area120
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count23
Formal Charge0
Complexity411
SMILES
C/C(=C\CC[C@](C)(C=C)O)/CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI
InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6+/t11-,12-,13+,14-,15-,16+/m1/s1
InChIKey
WEHZDNHJZBEGME-PAHMEIBGSA-N
Chemical Structure
2D Structure
2D structure of Betulalbuside A
CAS: 64776-96-1
CID: 10382095
Formula: C16H28O7
MW: 332.39
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight332.39
XLogP3-0.3
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass332.18350323
Monoisotopic Mass332.18350323
Topological Polar Surface Area120 Ų
Heavy Atom Count23
Formal Charge0
Complexity411
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
PCA77696-01Betulalbuside A
GTR19229175-01Betulalbuside B

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