1.0 2010-04-08 22:14:25 UTC 2018-05-29 01:42:33 UTC FDB019548 4-O-beta-D-Glucopyranuronosyl-L-fucose Isolated from the partial acid hydrolysate of tragacanthic acid, the major polysaccharide component of tragacanth gum C12H20O11 340.2806 340.100561482 3,4,5-trihydroxy-6-[(4,5,6-trihydroxy-2-methyloxan-3-yl)oxy]oxane-2-carboxylic acid 3,4,5-trihydroxy-6-[(4,5,6-trihydroxy-2-methyloxan-3-yl)oxy]oxane-2-carboxylic acid 16749-74-9 CC1OC(O)C(O)C(O)C1OC1OC(C(O)C(O)C1O)C(O)=O InChI=1S/C12H20O11/c1-2-8(5(15)6(16)11(20)21-2)22-12-7(17)3(13)4(14)9(23-12)10(18)19/h2-9,11-17,20H,1H3,(H,18,19) AVNZRZCQPHKKAQ-UHFFFAOYSA-N belongs to the class of organic compounds known as o-glucuronides. These are glucuronides in which the aglycone is linked to the carbohydrate unit through an O-glycosidic bond. O-glucuronides Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aliphatic heteromonocyclic compounds Acetals Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Disaccharides Hemiacetals Hydrocarbon derivatives Monocarboxylic acids and derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Pyrans Secondary alcohols 1-o-glucuronide Acetal Alcohol Aliphatic heteromonocyclic compound Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Disaccharide Glycosyl compound Hemiacetal Hydrocarbon derivative Hydroxy acid Monocarboxylic acid or derivatives O-glucuronide O-glycosyl compound Organic oxide Organoheterocyclic compound Oxacycle Oxane Polyol Pyran Secondary alcohol logp -2.35 ALOGPS logs -0.27 ALOGPS solubility 1.84e+02 g/l ALOGPS logp -3.3 ChemAxon pka_strongest_acidic 3.27 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 3,4,5-trihydroxy-6-[(4,5,6-trihydroxy-2-methyloxan-3-yl)oxy]oxane-2-carboxylic acid ChemAxon average_mass 340.2806 ChemAxon mono_mass 340.100561482 ChemAxon smiles CC1OC(O)C(O)C(O)C1OC1OC(C(O)C(O)C1O)C(O)=O ChemAxon formula C12H20O11 ChemAxon inchi InChI=1S/C12H20O11/c1-2-8(5(15)6(16)11(20)21-2)22-12-7(17)3(13)4(14)9(23-12)10(18)19/h2-9,11-17,20H,1H3,(H,18,19) ChemAxon inchikey AVNZRZCQPHKKAQ-UHFFFAOYSA-N ChemAxon polar_surface_area 186.37 ChemAxon refractivity 66.66 ChemAxon polarizability 30.52 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 11 ChemAxon donor_count 7 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 94578 Specdb::MsMs 94579 Specdb::MsMs 94580 Specdb::MsMs 158625 Specdb::MsMs 158626 Specdb::MsMs 158627 Specdb::CMs 10129 Specdb::CMs 46619 HMDB39889 #<Reference:0x000055ce32073388>