2-(3,7-Dimethylocta-1,6-dien-3-yloxy)-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID: 14190656
Connections displayed (default: 10).
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| Topological Polar Surface Area | 99.4 |
|---|---|
| Hydrogen Bond Donor Count | 4.0 |
| Inchi Key | FLXYFXDZJHWWGW-UHFFFAOYSA-N |
| Rotatable Bond Count | 7.0 |
| Synonyms | (R)-3,7-Dimethyl-1,6-octadien-3-ol 3-O-b-D-glucopyranoside, (R)-3,7-Dimethyl-1,6-octadien-3-ol 3-O-b-D-glucoside, (R)-3,7-Dimethyl-1,6-octadien-3-ol O-b-D-glucopyranoside, L-Linalool 3-glucoside, L-Linalool 3-O-b-D-glucoside |
| Heavy Atom Count | 22.0 |
| Compound Name | 2-(3,7-Dimethylocta-1,6-dien-3-yloxy)-6-(hydroxymethyl)oxane-3,4,5-triol |
| Description | Constituent of wine grape (Vitis vinifera). L-Linalool 3-glucoside is found in many foods, some of which are tea, common grape, fruits, and alcoholic beverages. |
| Exact Mass | 316.189 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 316.189 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 392.0 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 316.39 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3,7-dimethylocta-1,6-dien-3-yloxy)-6-(hydroxymethyl)oxane-3,4,5-triol |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C16H28O6/c1-5-16(4,8-6-7-10(2)3)22-15-14(20)13(19)12(18)11(9-17)21-15/h5,7,11-15,17-20H,1,6,8-9H2,2-4H3 |
| Smiles | CC(=CCCC(C)(C=C)OC1C(C(C(C(O1)CO)O)O)O)C |
| Xlogp | 1.1 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C16H28O6 |
- 1. Outgoing r'ship
FOUND_INto/from Camellia Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:fooddb_chem_all