1.0 2010-04-08 22:04:49 UTC 2025-11-18 22:27:49 UTC FDB001070 D-Citronellol glucoside Constituent of wine grapes (Vitis vinifera). D-Citronellol glucoside is found in alcoholic beverages and fruits. D-Citronellol glucoside D-Citronellol O-b-D-glucopyranoside D-Citronellol O-b-D-glucoside C16H30O6 318.4058 318.204238692 2-[(3,7-dimethyloct-6-en-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol 2-[(3,7-dimethyloct-6-en-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol 117895-55-3 CC(CCOC1OC(CO)C(O)C(O)C1O)CCC=C(C)C InChI=1S/C16H30O6/c1-10(2)5-4-6-11(3)7-8-21-16-15(20)14(19)13(18)12(9-17)22-16/h5,11-20H,4,6-9H2,1-3H3 BGAILLKFXBSPRD-UHFFFAOYSA-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 0.70 ALOGPS logs -1.70 ALOGPS solubility 6.36e+00 g/l ALOGPS logp 0.98 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-[(3,7-dimethyloct-6-en-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 318.4058 ChemAxon mono_mass 318.204238692 ChemAxon smiles CC(CCOC1OC(CO)C(O)C(O)C1O)CCC=C(C)C ChemAxon formula C16H30O6 ChemAxon inchi InChI=1S/C16H30O6/c1-10(2)5-4-6-11(3)7-8-21-16-15(20)14(19)13(18)12(9-17)22-16/h5,11-20H,4,6-9H2,1-3H3 ChemAxon inchikey BGAILLKFXBSPRD-UHFFFAOYSA-N ChemAxon polar_surface_area 99.38 ChemAxon refractivity 82.9 ChemAxon polarizability 35.55 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23350 Specdb::CMs 41590 Specdb::CMs 159862 Specdb::MsMs 98346 Specdb::MsMs 98347 Specdb::MsMs 98348 Specdb::MsMs 163245 Specdb::MsMs 163246 Specdb::MsMs 163247 Specdb::MsMs 2398671 Specdb::MsMs 2398672 Specdb::MsMs 2398673 Specdb::MsMs 2537447 Specdb::MsMs 2537448 Specdb::MsMs 2537449 Specdb::NmrOneD 16402 Specdb::NmrOneD 16403 Specdb::NmrOneD 16404 Specdb::NmrOneD 16405 Specdb::NmrOneD 16406 Specdb::NmrOneD 16407 Specdb::NmrOneD 16408 Specdb::NmrOneD 16409 Specdb::NmrOneD 16410 Specdb::NmrOneD 16411 Specdb::NmrOneD 16412 Specdb::NmrOneD 16413 Specdb::NmrOneD 16414 Specdb::NmrOneD 16415 Specdb::NmrOneD 16416 Specdb::NmrOneD 16417 Specdb::NmrOneD 16418 Specdb::NmrOneD 16419 Specdb::NmrOneD 16420 Specdb::NmrOneD 16421 HMDB0029850 Alcoholic beverages Unknown generic Fruits Unknown generic