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Sinapaldehyde glucoside

CAT: 0013-GTR19180570-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19180570-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Sinapaldehyde glucoside is a natural compound derived from Ilex rotunda bark, exhibiting antioxidant and antimicrobial properties. It is utilized in research for studying oxidative stress and microbial inhibition in both in vitro and in vivo experimental models.
CAS Number
154461-65-1
Product Name Alternative
Sinapaldehyde glucoside
Field of Research
Immunology & Inflammation, Infectious Disease & Virology
Purity
99.00% (May vary between batches)
Smiles
O (C1=C (OC) C=C (/C=C/C=O) C=C1OC) [C@@H]2O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]2O
Molecular Formula
C17H22O9
Molecular Weight
370.35
Storage Conditions
Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.
Notes
For research use only.

Chemical Information

Sinapaldehyde Glucoside

(E)-sinapaldehyde 4-O-beta-D-glucopyranoside is a beta-D-glucoside resulting from the formal condensation of the phenolic hydroxy group of (E)-sinapaldehyde with beta-D-glucose. It has a role as a plant metabolite. It is a beta-D-glucoside, a member of cinnamaldehydes, a dimethoxybenzene and a monosaccharide derivative. It is functionally related to an (E)-sinapaldehyde.

CAS Number154461-65-1
PubChem CID25791064
IUPAC Name(E)-3-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enal
Molecular FormulaC17H22O9
Molecular Weight370.4
XLogP-1.2
Topological Polar Surface Area135
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count26
Formal Charge0
Complexity457
SMILES
COC1=CC(=CC(=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OC)/C=C/C=O
InChI
InChI=1S/C17H22O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-7,12-15,17,19-22H,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1
InChIKey
OYTCTPHTVUEGCL-GCPOEHJPSA-N
Chemical Structure
2D Structure
2D structure of Sinapaldehyde Glucoside
CAS: 154461-65-1
CID: 25791064
Formula: C17H22O9
MW: 370.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight370.4
XLogP3-1.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass370.12638228
Monoisotopic Mass370.12638228
Topological Polar Surface Area135 Ų
Heavy Atom Count26
Formal Charge0
Complexity457
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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