Neryl arabinofuranosyl-glucoside
PubChem CID: 18688995
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| Compound Synonyms | Neryl arabinofuranosyl-glucoside, 2-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(2Z)-3,7-dimethylocta-2,6-dienoxy]oxane-3,4,5-triol, CHEBI:168568 |
|---|---|
| Topological Polar Surface Area | 158.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 31.0 |
| Description | Isolated from wine grapes (Vitis vinifera). Neryl arabinofuranosyl-glucoside is found in alcoholic beverages, fruits, and common grape. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 605.0 |
| Database Name | fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(2Z)-3,7-dimethylocta-2,6-dienoxy]oxane-3,4,5-triol |
| Nih Violation | False |
| Class | Prenol lipids |
| Xlogp | -0.2 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Terpene glycosides |
| Molecular Formula | C21H36O10 |
| Inchi Key | AWDKYYYAAQQLEF-GHXNOFRVSA-N |
| Rotatable Bond Count | 10.0 |
| Synonyms | (2Z)-3,7-Dimethyl-2,6-octadien-1-ol O-[a-L-arabinofuranosyl-(1->6)-b-D-glucopyranoside], Neryl arabinofuranosyl-glucoside, Neryl O-[a-L-arabinofuranosyl-(1->6)-b-D-glucopyranoside] |
| Substituent Name | Terpene glycoside, Fatty acyl glycoside of mono- or disaccharide, Fatty acyl glycoside, Alkyl glycoside, O-glycosyl compound, Glycosyl compound, Disaccharide, Monoterpenoid, Monocyclic monoterpenoid, Fatty acyl, Oxane, Saccharide, Oxolane, Secondary alcohol, Polyol, 1,2-diol, Oxacycle, Organoheterocyclic compound, Ether, Acetal, Hydrocarbon derivative, Primary alcohol, Organooxygen compound, Alcohol, Aliphatic heteromonocyclic compound |
| Compound Name | Neryl arabinofuranosyl-glucoside |
| Kingdom | Organic compounds |
| Exact Mass | 448.231 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 448.231 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 448.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 9.0 |
| Total Bond Stereocenter Count | 1.0 |
| Inchi | InChI=1S/C21H36O10/c1-11(2)5-4-6-12(3)7-8-28-20-19(27)17(25)16(24)14(31-20)10-29-21-18(26)15(23)13(9-22)30-21/h5,7,13-27H,4,6,8-10H2,1-3H3/b12-7- |
| Smiles | CC(=CCC/C(=C\COC1C(C(C(C(O1)COC2C(C(C(O2)CO)O)O)O)O)O)/C)C |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:fooddb_chem_all