1.0 2010-04-08 22:14:19 UTC 2025-11-19 02:19:21 UTC FDB019388 4-O-Methyl-a-D-glucosyl-(1->2)-b-D-xylosyl-(1->4)-D-xylose From oat hull hemicelluloses. 4-O-Methyl-a-D-glucosyl-(1->2)-b-D-xylosyl-(1->4)-D-xylose is found in cereals and cereal products. 4-O-Methyl-a-D-glucopyranosyl-(1->2)-b-D-xylopyranosyl-(1->4)-D-xylose 4-O-Methyl-a-D-glucosyl-(1->2)-b-D-xylosyl-(1->4)-D-xylose C17H28O15 472.3952 472.142820226 6-({4,5-dihydroxy-2-[(4,5,6-trihydroxyoxan-3-yl)oxy]oxan-3-yl}oxy)-4,5-dihydroxy-3-methoxyoxane-2-carboxylic acid 6-({4,5-dihydroxy-2-[(4,5,6-trihydroxyoxan-3-yl)oxy]oxan-3-yl}oxy)-4,5-dihydroxy-3-methoxyoxane-2-carboxylic acid 10365-86-3 COC1C(O)C(O)C(OC2C(O)C(O)COC2OC2COC(O)C(O)C2O)OC1C(O)=O InChI=1S/C17H28O15/c1-27-11-8(21)10(23)16(32-13(11)14(24)25)31-12-6(19)4(18)2-29-17(12)30-5-3-28-15(26)9(22)7(5)20/h4-13,15-23,26H,2-3H2,1H3,(H,24,25) XZGRJCXNJVJWKJ-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 Acetals Carbonyl compounds Carboxylic acids Dialkyl ethers Hemiacetals Hydrocarbon derivatives Monocarboxylic acids and derivatives O-glucuronides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Pyrans Secondary alcohols 1-o-glucuronide Acetal Alcohol Aliphatic heteromonocyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Dialkyl ether Ether Glucuronic acid or derivatives Glycosyl compound Hemiacetal Hydrocarbon derivative Monocarboxylic acid or derivatives O-glucuronide O-glycosyl compound Oligosaccharide Organic oxide Organoheterocyclic compound Oxacycle Oxane Polyol Pyran Secondary alcohol logp -2.53 ALOGPS logs -0.26 ALOGPS solubility 2.61e+02 g/l ALOGPS melting_point Mp 180-187° logp -4.3 ChemAxon pka_strongest_acidic 3.26 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 6-({4,5-dihydroxy-2-[(4,5,6-trihydroxyoxan-3-yl)oxy]oxan-3-yl}oxy)-4,5-dihydroxy-3-methoxyoxane-2-carboxylic acid ChemAxon average_mass 472.3952 ChemAxon mono_mass 472.142820226 ChemAxon smiles COC1C(O)C(O)C(OC2C(O)C(O)COC2OC2COC(O)C(O)C2O)OC1C(O)=O ChemAxon formula C17H28O15 ChemAxon inchi InChI=1S/C17H28O15/c1-27-11-8(21)10(23)16(32-13(11)14(24)25)31-12-6(19)4(18)2-29-17(12)30-5-3-28-15(26)9(22)7(5)20/h4-13,15-23,26H,2-3H2,1H3,(H,24,25) ChemAxon inchikey XZGRJCXNJVJWKJ-UHFFFAOYSA-N ChemAxon polar_surface_area 234.29 ChemAxon refractivity 93.44 ChemAxon polarizability 43.46 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 15 ChemAxon donor_count 8 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20472 Specdb::CMs 46550 Specdb::CMs 160773 Specdb::CMs 175308 Specdb::CMs 280303 Specdb::MsMs 80883 Specdb::MsMs 80884 Specdb::MsMs 80885 Specdb::MsMs 141867 Specdb::MsMs 141868 Specdb::MsMs 141869 Specdb::MsMs 2273676 Specdb::MsMs 2273677 Specdb::MsMs 2273678 Specdb::MsMs 3091310 Specdb::MsMs 3091311 Specdb::MsMs 3091312 Specdb::NmrOneD 35722 Specdb::NmrOneD 35723 Specdb::NmrOneD 35724 Specdb::NmrOneD 35725 Specdb::NmrOneD 35726 Specdb::NmrOneD 35727 Specdb::NmrOneD 35728 Specdb::NmrOneD 35729 Specdb::NmrOneD 35730 Specdb::NmrOneD 35731 Specdb::NmrOneD 35732 Specdb::NmrOneD 35733 Specdb::NmrOneD 35734 Specdb::NmrOneD 35735 Specdb::NmrOneD 35736 Specdb::NmrOneD 35737 Specdb::NmrOneD 35738 Specdb::NmrOneD 35739 Specdb::NmrOneD 35740 Specdb::NmrOneD 35741 HMDB39742 #<Reference:0x000055ce3079bf40> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic