1.0 2010-04-08 22:13:32 UTC 2019-11-26 03:15:47 UTC FDB018158 (2E,4E,7R)-2,7-Dimethyl-2,4-octadiene-1,8-diol 8-O-b-D-glucopyranoside Constituent of quince fruit (Cydonia oblonga). (2E,4E,7R)-2,7-Dimethyl-2,4-octadiene-1,8-diol 8-O-b-D-glucopyranoside is found in fruits. (2E,4E,7R)-2,7-Dimethyl-2,4-octadiene-1,8-diol 8-O-b-D-glucopyranoside (2E,4E,7R)-2,7-Dimethyl-2,4-octadiene-1,8-diol 8-O-b-D-glucoside (2E,4E,7R)-2,7-Dimethyl-2,4-octadiene-1,8-diol 8-O-glucoside 2,(7R)-Dimethyl-(2E,4E)-octadiene-1,8-diol 8-O-glucoside C16H28O7 332.3893 332.18350325 2-{[(4Z,6Z)-8-hydroxy-2,7-dimethylocta-4,6-dien-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 2-{[(4Z,6Z)-8-hydroxy-2,7-dimethylocta-4,6-dien-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol CC(COC1OC(CO)C(O)C(O)C1O)C\C=C/C=C(/C)CO InChI=1S/C16H28O7/c1-10(7-17)5-3-4-6-11(2)9-22-16-15(21)14(20)13(19)12(8-18)23-16/h3-5,11-21H,6-9H2,1-2H3/b4-3-,10-5- BMZXRCYRAQEICG-QQTPKPIZSA-N belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol. Fatty acyl glycosides of mono- and disaccharides Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides Aliphatic heteromonocyclic compounds Acetals Alkyl glycosides Fatty alcohols Hexoses Hydrocarbon derivatives O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Acetal Alcohol Aliphatic heteromonocyclic compound Alkyl glycoside Fatty acyl glycoside of mono- or disaccharide Fatty alcohol Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Monosaccharide O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol logp 0.25 ALOGPS logs -1.76 ALOGPS solubility 5.77e+00 g/l ALOGPS logp -0.58 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -2 ChemAxon iupac 2-{[(4Z,6Z)-8-hydroxy-2,7-dimethylocta-4,6-dien-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 332.3893 ChemAxon mono_mass 332.18350325 ChemAxon smiles CC(COC1OC(CO)C(O)C(O)C1O)C\C=C/C=C(/C)CO ChemAxon formula C16H28O7 ChemAxon inchi InChI=1S/C16H28O7/c1-10(7-17)5-3-4-6-11(2)9-22-16-15(21)14(20)13(19)12(8-18)23-16/h3-5,11-21H,6-9H2,1-2H3/b4-3-,10-5- ChemAxon inchikey BMZXRCYRAQEICG-QQTPKPIZSA-N ChemAxon polar_surface_area 119.61 ChemAxon refractivity 85.71 ChemAxon polarizability 35.59 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 7 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23031 Specdb::CMs 46028 Specdb::CMs 136474 Specdb::CMs 144208 Specdb::NmrOneD 28982 Specdb::NmrOneD 28983 Specdb::NmrOneD 28984 Specdb::NmrOneD 28985 Specdb::NmrOneD 28986 Specdb::NmrOneD 28987 Specdb::NmrOneD 28988 Specdb::NmrOneD 28989 Specdb::NmrOneD 28990 Specdb::NmrOneD 28991 Specdb::NmrOneD 28992 Specdb::NmrOneD 28993 Specdb::NmrOneD 28994 Specdb::NmrOneD 28995 Specdb::NmrOneD 28996 Specdb::NmrOneD 28997 Specdb::NmrOneD 28998 Specdb::NmrOneD 28999 Specdb::NmrOneD 29000 Specdb::NmrOneD 29001 Specdb::MsMs 51912 Specdb::MsMs 51913 Specdb::MsMs 51914 Specdb::MsMs 125250 Specdb::MsMs 125251 Specdb::MsMs 125252 Specdb::MsMs 2754664 Specdb::MsMs 2754665 Specdb::MsMs 2754666 Specdb::MsMs 2951601 Specdb::MsMs 2951602 Specdb::MsMs 2951603 HMDB38747 #<Reference:0x000055ce323afcb8> Fruits Unknown generic