1.0 2010-04-08 22:04:52 UTC 2020-02-24 19:10:20 UTC FDB001178 Neokestose Isolated from aq. alcoholic extracts of oat stalks. Neokestose is found in many foods, some of which are common wheat, garden onion, cereals and cereal products, and french plantain. 6G-Kestotriose b-D-Fructofuranosyl 6-O-b-D-fructofuranosyl-a-D-glucopyranoside, 8CI neo-Kestose O-b-D-Fructofuranosyl-(2->6)-a-D-glucopyranosyl b-D-fructofuranoside C18H32O16 504.4371 504.169034976 2-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-6-({[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxane-3,4,5-triol 2-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-6-({[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxane-3,4,5-triol 3688-75-3 OCC1OC(CO)(OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O)C2O)C(O)C1O InChI=1S/C18H32O16/c19-1-6-10(24)14(28)17(4-21,32-6)30-3-8-9(23)12(26)13(27)16(31-8)34-18(5-22)15(29)11(25)7(2-20)33-18/h6-16,19-29H,1-5H2 HQFMTRMPFIZQJF-UHFFFAOYSA-N belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds. Oligosaccharides Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aliphatic heteromonocyclic compounds C-glycosyl compounds Hydrocarbon derivatives Ketals O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Tetrahydrofurans Acetal Alcohol Aliphatic heteromonocyclic compound C-glycosyl compound Glycosyl compound Hydrocarbon derivative Ketal O-glycosyl compound Oligosaccharide Organoheterocyclic compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Tetrahydrofuran a fructan logp -3.22 ALOGPS logs 0.08 ALOGPS solubility 6.11e+02 g/l ALOGPS logp -6.1 ChemAxon pka_strongest_acidic 11.65 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac 2-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-6-({[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxane-3,4,5-triol ChemAxon average_mass 504.4371 ChemAxon mono_mass 504.169034976 ChemAxon smiles OCC1OC(CO)(OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O)C2O)C(O)C1O ChemAxon formula C18H32O16 ChemAxon inchi InChI=1S/C18H32O16/c19-1-6-10(24)14(28)17(4-21,32-6)30-3-8-9(23)12(26)13(27)16(31-8)34-18(5-22)15(29)11(25)7(2-20)33-18/h6-16,19-29H,1-5H2 ChemAxon inchikey HQFMTRMPFIZQJF-UHFFFAOYSA-N ChemAxon polar_surface_area 268.68 ChemAxon refractivity 101.62 ChemAxon polarizability 46.44 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 16 ChemAxon donor_count 11 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16661 Specdb::CMs 41640 Specdb::MsMs 104094 Specdb::MsMs 104095 Specdb::MsMs 104096 Specdb::MsMs 170289 Specdb::MsMs 170290 Specdb::MsMs 170291 Specdb::MsMs 2408660 Specdb::MsMs 2408661 Specdb::MsMs 2408662 Specdb::MsMs 2554183 Specdb::MsMs 2554184 Specdb::MsMs 2554185 Specdb::NmrOneD 160010 Specdb::NmrOneD 160011 Specdb::NmrOneD 160012 Specdb::NmrOneD 160013 Specdb::NmrOneD 160014 Specdb::NmrOneD 160015 Specdb::NmrOneD 160016 Specdb::NmrOneD 160017 Specdb::NmrOneD 160018 Specdb::NmrOneD 160019 Specdb::NmrOneD 160020 Specdb::NmrOneD 160021 Specdb::NmrOneD 160022 Specdb::NmrOneD 160023 Specdb::NmrOneD 160024 Specdb::NmrOneD 160025 Specdb::NmrOneD 160026 Specdb::NmrOneD 160027 Specdb::NmrOneD 160028 Specdb::NmrOneD 160029 HMDB29921 #<Reference:0x000055ce324c89b0> #<Reference:0x000055ce324c87f8> #<Reference:0x000055ce324c8640> #<Reference:0x000055ce324c8460> #<Reference:0x000055ce324c8118> #<Reference:0x000055ce324c4900> #<Reference:0x000055ce324c7c40> #<Reference:0x000055ce324c7998> #<Reference:0x000055ce324c7790> #<Reference:0x000055ce324c75b0> #<Reference:0x000055ce324c7308> #<Reference:0x000055ce324c7150> #<Reference:0x000055ce324c6f98> #<Reference:0x000055ce324c6de0> #<Reference:0x000055ce324c6c28> #<Reference:0x000055ce324c6a70> #<Reference:0x000055ce324c6890> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Common wheat Type 1 specific Triticum aestivum 4565 French plantain Type 1 specific Musa X paradisiaca 89151 Garden onion Type 1 specific Allium cepa 4679