Neryl glucoside
PubChem CID: 18688993
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| Compound Synonyms | Neryl glucoside, 2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-6-(hydroxymethyl)oxane-3,4,5-triol, CHEBI:169359, 1,3-Diaza-spiro[4.6]undecane-2,4-dione |
|---|---|
| Topological Polar Surface Area | 99.4 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 22.0 |
| Description | Isolated from Rosa subspecies, rose geranium (Pelargonium graveolens) and grapes. Neryl glucoside is found in many foods, some of which are common grape, fruits, tea, and fats and oils. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 388.0 |
| Database Name | fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| Nih Violation | False |
| Class | Prenol lipids |
| Xlogp | 1.2 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Terpene glycosides |
| Molecular Formula | C16H28O6 |
| Inchi Key | RMMXLHZEVYNSJO-XFFZJAGNSA-N |
| Rotatable Bond Count | 7.0 |
| Synonyms | (2Z)-3,7-Dimethyl-2,6-octadien-1-ol O-b-D-glucopyranoside, 1,3-Diaza-spiro[4.6]undecane-2,4-dione, 1,3-Diazaspiro[4.6]undecane-2,4-dione, Neryl glucoside |
| Substituent Name | Terpene glycoside, Fatty acyl glycoside of mono- or disaccharide, Fatty acyl glycoside, Alkyl glycoside, O-glycosyl compound, Glycosyl compound, Monoterpenoid, Monocyclic monoterpenoid, Fatty acyl, Oxane, Monosaccharide, Saccharide, Secondary alcohol, Polyol, 1,2-diol, Oxacycle, Organoheterocyclic compound, Ether, Acetal, Hydrocarbon derivative, Primary alcohol, Organooxygen compound, Alcohol, Aliphatic heteromonocyclic compound |
| Compound Name | Neryl glucoside |
| Kingdom | Organic compounds |
| Exact Mass | 316.189 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 316.189 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 316.39 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 1.0 |
| Inchi | InChI=1S/C16H28O6/c1-10(2)5-4-6-11(3)7-8-21-16-15(20)14(19)13(18)12(9-17)22-16/h5,7,12-20H,4,6,8-9H2,1-3H3/b11-7- |
| Smiles | CC(=CCC/C(=C\COC1C(C(C(C(O1)CO)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