1.0 2010-04-08 22:05:19 UTC 2025-11-18 22:36:14 UTC FDB002286 xi-Linalool 3-[rhamnosyl-(1->6)-glucoside] Constituent of wine grapes (Vitis vinifera). xi-Linalool 3-[rhamnosyl-(1->6)-glucoside] is found in alcoholic beverages, fruits, and common grape. xi-3,7-Dimethyl-1,6-octadien-3-ol 3-O-[a-L-rhamnopyranosyl-(1->6)-b-D-glucopyranoside] xi-3,7-Dimethyl-1,6-octadien-3-ol O-[a-L-rhamnopyranosyl-(1->6)-b-D-glucopyranoside] xi-Linalool 3-[rhamnosyl-(1->6)-glucoside] xi-Linalool 3-O-[a-L-rhamnopyranosyl-(1->6)-b-D-glucopyranoside] C22H38O10 462.5311 462.246497436 2-({6-[(3,7-dimethylocta-1,6-dien-3-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methoxy)-6-methyloxane-3,4,5-triol 2-({6-[(3,7-dimethylocta-1,6-dien-3-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methoxy)-6-methyloxane-3,4,5-triol 84534-33-8 CC1OC(OCC2OC(OC(C)(CCC=C(C)C)C=C)C(O)C(O)C2O)C(O)C(O)C1O InChI=1S/C22H38O10/c1-6-22(5,9-7-8-11(2)3)32-21-19(28)17(26)15(24)13(31-21)10-29-20-18(27)16(25)14(23)12(4)30-20/h6,8,12-21,23-28H,1,7,9-10H2,2-5H3 SZTBSKBBYWJFEJ-UHFFFAOYSA-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 Disaccharides Hydrocarbon derivatives Monocyclic monoterpenoids O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Secondary alcohols Acetal Alcohol Aliphatic heteromonocyclic compound Alkyl glycoside Disaccharide Fatty acyl glycoside of mono- or disaccharide Glycosyl compound Hydrocarbon derivative Monocyclic monoterpenoid Monoterpenoid O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Secondary alcohol logp 0.16 ALOGPS logs -1.97 ALOGPS solubility 4.97e+00 g/l ALOGPS logp 0.15 ChemAxon pka_strongest_acidic 11.92 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 2-({6-[(3,7-dimethylocta-1,6-dien-3-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methoxy)-6-methyloxane-3,4,5-triol ChemAxon average_mass 462.5311 ChemAxon mono_mass 462.246497436 ChemAxon smiles CC1OC(OCC2OC(OC(C)(CCC=C(C)C)C=C)C(O)C(O)C2O)C(O)C(O)C1O ChemAxon formula C22H38O10 ChemAxon inchi InChI=1S/C22H38O10/c1-6-22(5,9-7-8-11(2)3)32-21-19(28)17(26)15(24)13(31-21)10-29-20-18(27)16(25)14(23)12(4)30-20/h6,8,12-21,23-28H,1,7,9-10H2,2-5H3 ChemAxon inchikey SZTBSKBBYWJFEJ-UHFFFAOYSA-N ChemAxon polar_surface_area 158.3 ChemAxon refractivity 113.49 ChemAxon polarizability 48.86 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 10 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15390 Specdb::CMs 41925 Specdb::CMs 133889 Specdb::CMs 141623 Specdb::NmrOneD 161709 Specdb::NmrOneD 161710 Specdb::NmrOneD 161711 Specdb::NmrOneD 161712 Specdb::NmrOneD 161713 Specdb::NmrOneD 161714 Specdb::NmrOneD 161715 Specdb::NmrOneD 161716 Specdb::NmrOneD 161717 Specdb::NmrOneD 161718 Specdb::NmrOneD 161719 Specdb::NmrOneD 161720 Specdb::NmrOneD 161721 Specdb::NmrOneD 161722 Specdb::NmrOneD 161723 Specdb::NmrOneD 161724 Specdb::NmrOneD 161725 Specdb::NmrOneD 161726 Specdb::NmrOneD 161727 Specdb::NmrOneD 161728 Specdb::MsMs 50904 Specdb::MsMs 50905 Specdb::MsMs 50906 Specdb::MsMs 115683 Specdb::MsMs 115684 Specdb::MsMs 115685 Specdb::MsMs 2799997 Specdb::MsMs 2799998 Specdb::MsMs 2799999 Specdb::MsMs 2882906 Specdb::MsMs 2882907 Specdb::MsMs 2882908 HMDB30422 #<Reference:0x000055ce325cf480> Alcoholic beverages Unknown generic Common grape Type 1 specific Vitis vinifera 29760 Fruits Unknown generic