1.0 2010-04-08 22:14:18 UTC 2019-11-26 03:17:25 UTC FDB019363 4-O-(4-O-Methyl-alpha-D-glucopyranuronosyl)-L-arabinose Isolated from the partial hydrolysates of lemon gum. 4-O-(4-O-Methyl-alpha-D-glucopyranuronosyl)-L-arabinose is found in citrus and fruits. 4-O-(4-O-Methyl-a-D-glucopyranuronosyl)-L-arabinose C12H20O11 340.2806 340.100561482 4,5-dihydroxy-3-methoxy-6-[(4,5,6-trihydroxyoxan-3-yl)oxy]oxane-2-carboxylic acid 4,5-dihydroxy-3-methoxy-6-[(4,5,6-trihydroxyoxan-3-yl)oxy]oxane-2-carboxylic acid COC1C(O)C(O)C(OC2COC(O)C(O)C2O)OC1C(O)=O InChI=1S/C12H20O11/c1-20-8-5(14)7(16)12(23-9(8)10(17)18)22-3-2-21-11(19)6(15)4(3)13/h3-9,11-16,19H,2H2,1H3,(H,17,18) SCLWJHZCJVLFST-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 Carbonyl compounds Carboxylic acids Dialkyl ethers 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 Carbonyl group Carboxylic acid Carboxylic acid derivative Dialkyl ether Disaccharide Ether Glycosyl compound Hemiacetal Hydrocarbon derivative Monocarboxylic acid or derivatives O-glucuronide O-glycosyl compound Organic oxide Organoheterocyclic compound Oxacycle Oxane Polyol Pyran Secondary alcohol logp -2.46 ALOGPS logs -0.05 ALOGPS solubility 3.05e+02 g/l ALOGPS logp -3.1 ChemAxon pka_strongest_acidic 3.27 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 4,5-dihydroxy-3-methoxy-6-[(4,5,6-trihydroxyoxan-3-yl)oxy]oxane-2-carboxylic acid ChemAxon average_mass 340.2806 ChemAxon mono_mass 340.100561482 ChemAxon smiles COC1C(O)C(O)C(OC2COC(O)C(O)C2O)OC1C(O)=O ChemAxon formula C12H20O11 ChemAxon inchi InChI=1S/C12H20O11/c1-20-8-5(14)7(16)12(23-9(8)10(17)18)22-3-2-21-11(19)6(15)4(3)13/h3-9,11-16,19H,2H2,1H3,(H,17,18) ChemAxon inchikey SCLWJHZCJVLFST-UHFFFAOYSA-N ChemAxon polar_surface_area 175.37 ChemAxon refractivity 66.99 ChemAxon polarizability 30.67 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 11 ChemAxon donor_count 6 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11865 Specdb::CMs 46538 Specdb::CMs 132946 Specdb::CMs 140680 Specdb::MsMs 52809 Specdb::MsMs 52810 Specdb::MsMs 52811 Specdb::MsMs 151134 Specdb::MsMs 151135 Specdb::MsMs 151136 Specdb::MsMs 2434243 Specdb::MsMs 2434244 Specdb::MsMs 2434245 Specdb::MsMs 2503931 Specdb::MsMs 2503932 Specdb::MsMs 2503933 Specdb::NmrOneD 35562 Specdb::NmrOneD 35563 Specdb::NmrOneD 35564 Specdb::NmrOneD 35565 Specdb::NmrOneD 35566 Specdb::NmrOneD 35567 Specdb::NmrOneD 35568 Specdb::NmrOneD 35569 Specdb::NmrOneD 35570 Specdb::NmrOneD 35571 Specdb::NmrOneD 35572 Specdb::NmrOneD 35573 Specdb::NmrOneD 35574 Specdb::NmrOneD 35575 Specdb::NmrOneD 35576 Specdb::NmrOneD 35577 Specdb::NmrOneD 35578 Specdb::NmrOneD 35579 Specdb::NmrOneD 35580 Specdb::NmrOneD 35581 HMDB39725 #<Reference:0x000055ce30228fe0> Citrus Unknown generic Fruits Unknown generic