1.0 2010-04-08 22:04:33 UTC 2019-11-26 02:54:45 UTC FDB000413 Neryl glucoside 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. (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 C16H28O6 316.3899 316.188588628 2-{[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 2-{[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 22850-13-1 CC(C)=CCC\C(C)=C/COC1OC(CO)C(O)C(O)C1O 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- RMMXLHZEVYNSJO-XFFZJAGNSA-N belongs to the class of organic compounds known as terpene glycosides. These are prenol lipids containing a carbohydrate moiety glycosidically bound to a terpene backbone. Terpene glycosides Organic compounds Lipids and lipid-like molecules Prenol lipids Terpene glycosides Aliphatic heteromonocyclic compounds Acetals Alkyl glycosides Fatty acyl glycosides of mono- and disaccharides Hexoses Hydrocarbon derivatives Monocyclic monoterpenoids O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Acetal Alcohol Aliphatic heteromonocyclic compound Alkyl glycoside Fatty acyl Fatty acyl glycoside Fatty acyl glycoside of mono- or disaccharide Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Monocyclic monoterpenoid Monosaccharide Monoterpenoid O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Terpene glycoside logp 0.41 ALOGPS logs -1.89 ALOGPS solubility 4.10e+00 g/l ALOGPS melting_point Mp 68-70° (tetra-Ac) logp 0.73 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-{[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 316.3899 ChemAxon mono_mass 316.188588628 ChemAxon smiles CC(C)=CCC\C(C)=C/COC1OC(CO)C(O)C(O)C1O ChemAxon formula C16H28O6 ChemAxon 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- ChemAxon inchikey RMMXLHZEVYNSJO-XFFZJAGNSA-N ChemAxon polar_surface_area 99.38 ChemAxon refractivity 83.6 ChemAxon polarizability 34.81 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25522 Specdb::CMs 41292 Specdb::CMs 152442 Specdb::NmrOneD 15242 Specdb::NmrOneD 15243 Specdb::NmrOneD 15244 Specdb::NmrOneD 15245 Specdb::NmrOneD 15246 Specdb::NmrOneD 15247 Specdb::NmrOneD 15248 Specdb::NmrOneD 15249 Specdb::NmrOneD 15250 Specdb::NmrOneD 15251 Specdb::NmrOneD 15252 Specdb::NmrOneD 15253 Specdb::NmrOneD 15254 Specdb::NmrOneD 15255 Specdb::NmrOneD 15256 Specdb::NmrOneD 15257 Specdb::NmrOneD 15258 Specdb::NmrOneD 15259 Specdb::NmrOneD 15260 Specdb::NmrOneD 15261 Specdb::MsMs 76878 Specdb::MsMs 76879 Specdb::MsMs 76880 Specdb::MsMs 136833 Specdb::MsMs 136834 Specdb::MsMs 136835 Specdb::MsMs 2351974 Specdb::MsMs 2351975 Specdb::MsMs 2351976 Specdb::MsMs 2582960 Specdb::MsMs 2582961 Specdb::MsMs 2582962 HMDB29346 #<Reference:0x000055ce31e5b168> Black tea Type 1 Common grape Type 1 specific Vitis vinifera 29760 Fats and oils Unknown generic Fruits Unknown generic Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442