1.0 2010-04-08 22:14:18 UTC 2025-11-19 02:19:15 UTC FDB019364 4-O-alpha-D-Galactopyranuronosyl-D-galactose Constituent of Sterculia urens (karaya gum) C12H20O12 356.28 356.095476104 3,4,5-trihydroxy-6-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxane-2-carboxylic acid 3,4,5-trihydroxy-6-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxane-2-carboxylic acid 14402-41-6 OCC1OC(O)C(O)C(O)C1OC1OC(C(O)C(O)C1O)C(O)=O InChI=1S/C12H20O12/c13-1-2-8(5(16)6(17)11(21)22-2)23-12-7(18)3(14)4(15)9(24-12)10(19)20/h2-9,11-18,21H,1H2,(H,19,20) KJBWXIYXECDDOT-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 Primary alcohols 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 Primary alcohol Pyran Secondary alcohol logp -2.75 ALOGPS logs -0.11 ALOGPS solubility 2.75e+02 g/l ALOGPS logp -4.4 ChemAxon pka_strongest_acidic 3.21 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 3,4,5-trihydroxy-6-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxane-2-carboxylic acid ChemAxon average_mass 356.28 ChemAxon mono_mass 356.095476104 ChemAxon smiles OCC1OC(O)C(O)C(O)C1OC1OC(C(O)C(O)C1O)C(O)=O ChemAxon formula C12H20O12 ChemAxon inchi InChI=1S/C12H20O12/c13-1-2-8(5(16)6(17)11(21)22-2)23-12-7(18)3(14)4(15)9(24-12)10(19)20/h2-9,11-18,21H,1H2,(H,19,20) ChemAxon inchikey KJBWXIYXECDDOT-UHFFFAOYSA-N ChemAxon polar_surface_area 206.6 ChemAxon refractivity 68.2 ChemAxon polarizability 31.69 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 12 ChemAxon donor_count 8 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10227 Specdb::CMs 46537 Specdb::CMs 149600 Specdb::CMs 149602 Specdb::CMs 149604 Specdb::CMs 149606 Specdb::CMs 149608 Specdb::CMs 149610 Specdb::CMs 149612 Specdb::CMs 168285 Specdb::CMs 279739 Specdb::NmrOneD 35542 Specdb::NmrOneD 35543 Specdb::NmrOneD 35544 Specdb::NmrOneD 35545 Specdb::NmrOneD 35546 Specdb::NmrOneD 35547 Specdb::NmrOneD 35548 Specdb::NmrOneD 35549 Specdb::NmrOneD 35550 Specdb::NmrOneD 35551 Specdb::NmrOneD 35552 Specdb::NmrOneD 35553 Specdb::NmrOneD 35554 Specdb::NmrOneD 35555 Specdb::NmrOneD 35556 Specdb::NmrOneD 35557 Specdb::NmrOneD 35558 Specdb::NmrOneD 35559 Specdb::NmrOneD 35560 Specdb::NmrOneD 35561 Specdb::MsMs 6530 Specdb::MsMs 6531 Specdb::MsMs 6532 Specdb::MsMs 13010 Specdb::MsMs 13011 Specdb::MsMs 13012 Specdb::MsMs 13202 Specdb::MsMs 13203 Specdb::MsMs 13204 Specdb::MsMs 19682 Specdb::MsMs 19683 Specdb::MsMs 19684 Specdb::MsMs 2711723 Specdb::MsMs 2711724 Specdb::MsMs 2711725 Specdb::MsMs 2997857 Specdb::MsMs 2997858 Specdb::MsMs 2997859 HMDB39724 #<Reference:0x000055ce333345a8>