| CAS Number | 94356-26-0 |
| Catalog Number | AG00II35(AGN-PC-0W3YJK) |
| Chemical Name | b-D-Glucopyranoside,5-[(1E)-2-(3,5-dihydroxyphenyl)ethenyl]-2-hydroxyphenyl |
| IUPAC Name | (2S,3R,4S,5S,6R)-2-[5-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-2-hydroxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| InChI | InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-15-7-10(3-4-14(15)24)1-2-11-5-12(22)8-13(23)6-11/h1-8,16-27H,9H2/b2-1+/t16-,17-,18+,19-,20-/m1/s1 |
| InChI Key | UMGCIIXWEFTPOC-CUYWLFDKSA-N |
| MDL Number | MFCD28100371 |
| Molecular Formula | C20H22O9 |
| Molecular Weight | 406.3833 |
| SMILES | OC=1C=C(/C=C/C=2C=CC(=C(O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO)C2)O)C=C(C1)O |
| Synonyms | Piceatannol 3'-O-glucoside,
Piceatannol 3-glycoside,
94356-26-0,
CHEMBL109802,
HY-N2237,
ZINC26972732,
AKOS032949074,
CS-0019560,
b-D-Glucopyranoside,5-[(1E)-2-(3,5-dihydroxyphenyl)ethenyl]-2-hydroxyphenyl,
CID11968990,
3,4,3',5'-Tetrahydroxystilbene-3-glucoside,
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| Complexity | 534 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 5 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 406.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 7 |
| Isotope Atom Count | 0 |
| Molecular Weight | 406.387g/mol |
| Monoisotopic Mass | 406.126g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 160A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number