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Sibiricose A5

CAT: 0804-HY-N2167-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N2167-01Size:1 mg
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Description
Sibiricose A5 is an oligosaccharide ester isolated from Polygalae Radix with potent antioxidant activity[1][2].
CAS Number
107912-97-0
UNSPSC
12352005
Hazard Statement
H302-H315-H319
Target
Others
Type
Natural Products
Related Pathways
Others
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Neurological Disease; Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/sibiricose-a5.html
Purity
98.67
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
OC[C@]([C@H]1OC(/C=C/C2=CC(OC)=C(O)C=C2)=O)(O[C@H](CO)[C@H]1O)O[C@H]([C@@H]([C@@H](O)[C@@H]3O)O)O[C@@H]3CO
Molecular Formula
C22H30O14
Molecular Weight
518.47
Precautions
P264-P270-P280-P302+P352-P305+P351+P338-P330-P362+P364-P501
References & Citations
[1]Ba Y, et al. Intestinal Absorption Profile of Three Polygala Oligosaccharide Esters in Polygalae Radix and the Effects of Other Components in Polygalae Radix on Their Absorption. Evid Based Complement Alternat Med. 2019 Jul 2;2019:1379531.|[2]Shi Q, et al. Indirect identification of antioxidants in Polygalae Radix through their reaction with 2,2-diphenyl-1-picrylhydrazyl and subsequent HPLC-ESI-Q-TOF-MS/MS. Talanta. 2015 Nov 1;144:830-5.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Sibiricose A5

Sibiricose A5 is a hydroxycinnamic acid.

CAS Number107912-97-0
PubChem CID6326020
IUPAC Name[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Molecular FormulaC22H30O14
Molecular Weight518.5
XLogP-2
Topological Polar Surface Area225
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count14
Rotatable Bond Count10
Heavy Atom Count36
Formal Charge0
Complexity750
SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)O[C@H]2[C@@H]([C@H](O[C@@]2(CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CO)O)O
InChI
InChI=1S/C22H30O14/c1-32-12-6-10(2-4-11(12)26)3-5-15(27)34-20-17(29)14(8-24)35-22(20,9-25)36-21-19(31)18(30)16(28)13(7-23)33-21/h2-6,13-14,16-21,23-26,28-31H,7-9H2,1H3/b5-3+/t13-,14-,16-,17-,18+,19-,20+,21-,22+/m1/s1
InChIKey
ZPEADZHVGOCGKH-YQTDNFGYSA-N
Chemical Structure
2D Structure
2D structure of Sibiricose A5
CAS: 107912-97-0
CID: 6326020
Formula: C22H30O14
MW: 518.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight518.5
XLogP3-2
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count14
Rotatable Bond Count10
Exact Mass518.16355563
Monoisotopic Mass518.16355563
Topological Polar Surface Area225 Ų
Heavy Atom Count36
Formal Charge0
Complexity750
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes