(S)-2-Methyl-1-butanol O-beta-D-Glucopyranoside
PubChem CID: 13944077
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | SCHEMBL12157069, (S)-2-Methyl-1-butanol O-beta-D-Glucopyranoside |
|---|---|
| Topological Polar Surface Area | 99.4 |
| Hydrogen Bond Donor Count | 4.0 |
| Inchi Key | DMALNKYCYUUBGC-UHFFFAOYSA-N |
| Rotatable Bond Count | 5.0 |
| Synonyms | 1-(S)-Methylbutyl-beta-D-glucopyranoside |
| Heavy Atom Count | 17.0 |
| Compound Name | (S)-2-Methyl-1-butanol O-beta-D-Glucopyranoside |
| Description | (s)-2-methyl-1-butanol o-beta-d-glucopyranoside is a member of the class of compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol (s)-2-methyl-1-butanol o-beta-d-glucopyranoside is soluble (in water) and a very weakly acidic compound (based on its pKa). (s)-2-methyl-1-butanol o-beta-d-glucopyranoside can be found in tea, which makes (s)-2-methyl-1-butanol o-beta-d-glucopyranoside a potential biomarker for the consumption of this food product. |
| Exact Mass | 250.142 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 250.142 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 224.0 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 250.29 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(hydroxymethyl)-6-(2-methylbutoxy)oxane-3,4,5-triol |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C11H22O6/c1-3-6(2)5-16-11-10(15)9(14)8(13)7(4-12)17-11/h6-15H,3-5H2,1-2H3 |
| Smiles | CCC(C)COC1C(C(C(C(O1)CO)O)O)O |
| Xlogp | -0.5 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C11H22O6 |
- 1. Outgoing r'ship
FOUND_INto/from Camellia Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all