1.0 2020-04-06 11:15:56 UTC 2025-11-19 03:10:41 UTC FDB111729 5-(3',4',5'-trihydroxyphenyl)-gamma-valerolactone-O-methyl-4'-O-glucuronide C18H22O11 414.3607 414.116211546 (2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-{2-hydroxy-6-methoxy-4-[(5-oxooxolan-2-yl)methyl]phenoxy}oxane-2-carboxylic acid (2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-{2-hydroxy-6-methoxy-4-[(5-oxooxolan-2-yl)methyl]phenoxy}oxane-2-carboxylic acid COC1=C(O[C@H]2O[C@H]([C@H](O)[C@@H](O)[C@@H]2O)C(O)=O)C(O)=CC(CC2CCC(=O)O2)=C1 InChI=1S/C18H22O11/c1-26-10-6-7(4-8-2-3-11(20)27-8)5-9(19)15(10)28-18-14(23)12(21)13(22)16(29-18)17(24)25/h5-6,8,12-14,16,18-19,21-23H,2-4H2,1H3,(H,24,25)/t8?,12-,13-,14+,16-,18+/m1/s1 OQZAGOJJVQJMIE-ZTPQVCSDSA-N belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Phenolic glycosides Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aromatic heteromonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Acetals Alkyl aryl ethers Alkyl glycosides Anisoles Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acid esters Carboxylic acids Dicarboxylic acids and derivatives Fatty acyl glycosides of mono- and disaccharides Gamma butyrolactones Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Monosaccharides O-glucuronides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenoxy compounds Polyols Pyrans Secondary alcohols Tetrahydrofurans 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 1-o-glucuronide Acetal Alcohol Alkyl aryl ether Alkyl glycoside Anisole Aromatic heteromonocyclic compound Benzenoid Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Dicarboxylic acid or derivatives Ether Fatty acyl Fatty acyl glycoside Fatty acyl glycoside of mono- or disaccharide Gamma butyrolactone Glucuronic acid or derivatives Hydrocarbon derivative Hydroxy acid Lactone Methoxybenzene Methoxyphenol Monocyclic benzene moiety Monosaccharide O-glucuronide O-glycosyl compound Organic oxide Organoheterocyclic compound Oxacycle Oxane Phenol Phenol ether Phenolic glycoside Phenoxy compound Polyol Pyran Secondary alcohol Tetrahydrofuran logp -0.15 ALOGPS logs -1.88 ALOGPS solubility 5.43e+00 g/l ALOGPS logp -0.49 ChemAxon pka_strongest_acidic 2.98 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac (2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-{2-hydroxy-6-methoxy-4-[(5-oxooxolan-2-yl)methyl]phenoxy}oxane-2-carboxylic acid ChemAxon average_mass 414.3607 ChemAxon mono_mass 414.116211546 ChemAxon smiles COC1=C(O[C@H]2O[C@H]([C@H](O)[C@@H](O)[C@@H]2O)C(O)=O)C(O)=CC(CC2CCC(=O)O2)=C1 ChemAxon formula C18H22O11 ChemAxon inchi InChI=1S/C18H22O11/c1-26-10-6-7(4-8-2-3-11(20)27-8)5-9(19)15(10)28-18-14(23)12(21)13(22)16(29-18)17(24)25/h5-6,8,12-14,16,18-19,21-23H,2-4H2,1H3,(H,24,25)/t8?,12-,13-,14+,16-,18+/m1/s1 ChemAxon inchikey OQZAGOJJVQJMIE-ZTPQVCSDSA-N ChemAxon polar_surface_area 172.21 ChemAxon refractivity 91.78 ChemAxon polarizability 39.19 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 10 ChemAxon donor_count 5 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 899110 Specdb::MsMs 899111 Specdb::MsMs 899112 Specdb::MsMs 943462 Specdb::MsMs 943463 Specdb::MsMs 943464 Specdb::CMs 35048 Specdb::CMs 48013 Specdb::CMs 153544 Specdb::CMs 153545 Specdb::CMs 153547 Specdb::CMs 172068 Specdb::CMs 279932 Specdb::NmrOneD 55682 Specdb::NmrOneD 55683 Specdb::NmrOneD 55684 Specdb::NmrOneD 55685 Specdb::NmrOneD 55686 Specdb::NmrOneD 55687 Specdb::NmrOneD 55688 Specdb::NmrOneD 55689 Specdb::NmrOneD 55690 Specdb::NmrOneD 55691 Specdb::NmrOneD 55692 Specdb::NmrOneD 55693 Specdb::NmrOneD 55694 Specdb::NmrOneD 55695 Specdb::NmrOneD 55696 Specdb::NmrOneD 55697 Specdb::NmrOneD 55698 Specdb::NmrOneD 55699 Specdb::NmrOneD 55700 Specdb::NmrOneD 55701 HMDB0060027 Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823