xi-Linalool 3-[rhamnosyl-(1->6)-glucoside]
PubChem CID: 15624187
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| Compound Synonyms | xi-Linalool 3-[rhamnosyl-(1->6)-glucoside], CHEBI:169685, 2-[[6-(3,7-dimethylocta-1,6-dien-3-yloxy)-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol |
|---|---|
| Topological Polar Surface Area | 158.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 32.0 |
| Description | Constituent of wine grapes (Vitis vinifera). xi-Linalool 3-[rhamnosyl-(1->6)-glucoside] is found in alcoholic beverages, fruits, and common grape. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 638.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[[6-(3,7-dimethylocta-1,6-dien-3-yloxy)-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol |
| Nih Violation | False |
| Class | Fatty Acyls |
| Xlogp | -0.5 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Fatty acyl glycosides |
| Molecular Formula | C22H38O10 |
| Inchi Key | SZTBSKBBYWJFEJ-UHFFFAOYSA-N |
| Rotatable Bond Count | 9.0 |
| Synonyms | xi-3,7-Dimethyl-1,6-octadien-3-ol 3-O-[a-L-rhamnopyranosyl-(1->6)-b-D-glucopyranoside], xi-3,7-Dimethyl-1,6-octadien-3-ol O-[a-L-rhamnopyranosyl-(1->6)-b-D-glucopyranoside], xi-Linalool 3-[rhamnosyl-(1->6)-glucoside], xi-Linalool 3-O-[a-L-rhamnopyranosyl-(1->6)-b-D-glucopyranoside], (-)-Trigoneoside XB |
| Compound Name | xi-Linalool 3-[rhamnosyl-(1->6)-glucoside] |
| Kingdom | Organic compounds |
| Exact Mass | 462.246 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 462.246 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 462.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 11.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Inchi | InChI=1S/C22H38O10/c1-6-22(5,9-7-8-11(2)3)32-21-19(28)17(26)15(24)13(31-21)10-29-20-18(27)16(25)14(23)12(4)30-20/h6,8,12-21,23-28H,1,7,9-10H2,2-5H3 |
| Smiles | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC(C)(CCC=C(C)C)C=C)O)O)O)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Fatty acyl glycosides of mono- and disaccharides |
- 1. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:fooddb_chem_all