1.0 2019-10-15 20:23:08 UTC 2019-10-15 20:23:08 UTC FDB093626 3,5-Dihydroxyphenylvaleric acid glucuronide C17H22O10 386.353 386.121296908 (2S,4S,6S)-6-[3-(4-carboxybutyl)-5-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (2S,4S,6S)-6-[3-(4-carboxybutyl)-5-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid [H][C@@]1(OC2=CC(CCCCC(O)=O)=CC(O)=C2)O[C@]([H])(C(O)=O)C([H])(O)[C@]([H])(O)C1([H])O InChI=1S/C17H22O10/c18-9-5-8(3-1-2-4-11(19)20)6-10(7-9)26-17-14(23)12(21)13(22)15(27-17)16(24)25/h5-7,12-15,17-18,21-23H,1-4H2,(H,19,20)(H,24,25)/t12-,13?,14?,15-,17+/m0/s1 RLPWWOIWKYLCFU-IASGZQPQSA-N belongs to the class of organic compounds known as saccharolipids. Saccharolipids are compounds in which fatty acids are linked directly to a sugar backbone, forming structures that are compatible with membrane bilayers. In the saccharolipids, a sugar substitutes for the glycerol backbone that is present in glycerolipids and glycerophospholipids. The most familiar saccharolipids contain an acylated glucosamine. In contrast to others glycolipids, the fatty acid is not glycosidically linked to the sugar moiety. Saccharolipids Organic compounds Lipids and lipid-like molecules Saccharolipids Aromatic heteromonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Acetals Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Heterocyclic fatty acids Hexoses Hydrocarbon derivatives Hydroxy fatty acids Medium-chain fatty acids O-glucuronides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenol ethers Phenolic glycosides Phenoxy compounds Polyols Pyrans Secondary alcohols 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 1-o-glucuronide Acetal Alcohol Aromatic heteromonocyclic compound Benzenoid Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Dicarboxylic acid or derivatives Fatty acid Fatty acyl Glucuronic acid or derivatives Glycosyl compound Heterocyclic fatty acid Hexose monosaccharide Hydrocarbon derivative Hydroxy acid Hydroxy fatty acid Medium-chain fatty acid Monocyclic benzene moiety Monosaccharide O-glucuronide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenol ether Phenolic glycoside Phenoxy compound Polyol Pyran Saccharolipid Secondary alcohol logp 0.53 ALOGPS logs -2.05 ALOGPS solubility 3.45e+00 g/l ALOGPS logp 0.39 ChemAxon pka_strongest_acidic 3.11 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac (2S,4S,6S)-6-[3-(4-carboxybutyl)-5-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid ChemAxon average_mass 386.353 ChemAxon mono_mass 386.121296908 ChemAxon smiles [H][C@@]1(OC2=CC(CCCCC(O)=O)=CC(O)=C2)O[C@]([H])(C(O)=O)C([H])(O)[C@]([H])(O)C1([H])O ChemAxon formula C17H22O10 ChemAxon inchi InChI=1S/C17H22O10/c18-9-5-8(3-1-2-4-11(19)20)6-10(7-9)26-17-14(23)12(21)13(22)15(27-17)16(24)25/h5-7,12-15,17-18,21-23H,1-4H2,(H,19,20)(H,24,25)/t12-,13?,14?,15-,17+/m0/s1 ChemAxon inchikey RLPWWOIWKYLCFU-IASGZQPQSA-N ChemAxon polar_surface_area 173.98 ChemAxon refractivity 87.14 ChemAxon polarizability 37.6 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 10 ChemAxon donor_count 6 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 174176 Specdb::MsMs 2306100 Specdb::MsMs 2306101 Specdb::MsMs 2306102 Specdb::MsMs 3063535 Specdb::MsMs 3063536 Specdb::MsMs 3063537 FOBI:08812