2-phenylethyl beta-D-glucopyranoside
PubChem CID: 468284
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 2-(hydroxymethyl)-6-(2-phenylethoxy)oxane-3,4,5-triol, 2-phenylethyl beta-D-glucopyranoside, Phenylethyl-b-D-galactoside, Phenylethyl-b-D-glucopyranoside, SCHEMBL12812271, CHEBI:174715, 2-Phenylethanol-O-B-D-glucopyranoside, SB47487, 2-(hydroxymethyl)-6-phenethyloxy-tetrahydropyran-3,4,5-triol |
|---|---|
| Topological Polar Surface Area | 99.4 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 20.0 |
| Description | Isolated from Riesling grapes. Constituent of Rosa damascena bulgaria (damask rose variety) and Vitis vinifera (wine grape). 2-Phenylethyl beta-D-galactopyranoside is found in many foods, some of which are herbs and spices, green vegetables, fruits, and alcoholic beverages. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 281.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(hydroxymethyl)-6-(2-phenylethoxy)oxane-3,4,5-triol |
| Nih Violation | False |
| Class | Organooxygen compounds |
| Xlogp | -0.2 |
| Superclass | Organic oxygen compounds |
| Is Pains | False |
| Subclass | Carbohydrates and carbohydrate conjugates |
| Molecular Formula | C14H20O6 |
| Inchi Key | MLRIJUWUQTVDQE-UHFFFAOYSA-N |
| Rotatable Bond Count | 5.0 |
| State | Solid |
| Synonyms | 2-Phenylethyl galactopyranoside, Phenethyl beta-d-galactopyranoside, Phenethyl galactoside, Phenylethyl beta-d-galactopyranoside, Phenylethyl-beta-d-galactoside, 2-Phenylethyl b-D-glucopyranoside, 2-Phenylethyl β-D-glucopyranoside |
| Compound Name | 2-phenylethyl beta-D-glucopyranoside |
| Kingdom | Organic compounds |
| Exact Mass | 284.126 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 284.126 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 284.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Inchi | InChI=1S/C14H20O6/c15-8-10-11(16)12(17)13(18)14(20-10)19-7-6-9-4-2-1-3-5-9/h1-5,10-18H,6-8H2 |
| Smiles | C1=CC=C(C=C1)CCOC2C(C(C(C(O2)CO)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | O-glycosyl compounds |
- 1. Outgoing r'ship
FOUND_INto/from Carum Carvi (Plant) Rel Props:Source_db:fooddb_chem_all