1.0 2010-04-08 22:13:52 UTC 2019-11-26 03:16:31 UTC FDB018699 Flacourtin Isolated from the bark of an Indian medicinal plant, Flacourtia indica. Flacourtin is found in herbs and spices and fruits. 3-Hydroxy-4-(hydroxymethyl)phenyl b-D-glucopyranoside 6-benzoate, 9CI C20H22O9 406.3833 406.126382302 {3,4,5-trihydroxy-6-[3-hydroxy-4-(hydroxymethyl)phenoxy]oxan-2-yl}methyl benzoate {3,4,5-trihydroxy-6-[3-hydroxy-4-(hydroxymethyl)phenoxy]oxan-2-yl}methyl benzoate 113270-18-1 OCC1=C(O)C=C(OC2OC(COC(=O)C3=CC=CC=C3)C(O)C(O)C2O)C=C1 InChI=1S/C20H22O9/c21-9-12-6-7-13(8-14(12)22)28-20-18(25)17(24)16(23)15(29-20)10-27-19(26)11-4-2-1-3-5-11/h1-8,15-18,20-25H,9-10H2 YUHCIIZKQMLHKK-UHFFFAOYSA-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 Aromatic alcohols Benzoic acid esters Benzoyl derivatives Benzyl alcohols Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Monosaccharides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenol ethers Phenoxy compounds Polyols Primary alcohols Secondary alcohols 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Acetal Alcohol Aromatic alcohol Aromatic heteromonocyclic compound Benzenoid Benzoate ester Benzoic acid or derivatives Benzoyl Benzyl alcohol Carboxylic acid derivative Carboxylic acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organoheterocyclic compound Oxacycle Oxane Phenol Phenol ether Phenolic glycoside Phenoxy compound Polyol Primary alcohol Secondary alcohol logp 0.19 ALOGPS logs -2.50 ALOGPS solubility 1.27e+00 g/l ALOGPS melting_point Mp 212° logp 0.83 ChemAxon pka_strongest_acidic 9.82 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac {3,4,5-trihydroxy-6-[3-hydroxy-4-(hydroxymethyl)phenoxy]oxan-2-yl}methyl benzoate ChemAxon average_mass 406.3833 ChemAxon mono_mass 406.126382302 ChemAxon smiles OCC1=C(O)C=C(OC2OC(COC(=O)C3=CC=CC=C3)C(O)C(O)C2O)C=C1 ChemAxon formula C20H22O9 ChemAxon inchi InChI=1S/C20H22O9/c21-9-12-6-7-13(8-14(12)22)28-20-18(25)17(24)16(23)15(29-20)10-27-19(26)11-4-2-1-3-5-11/h1-8,15-18,20-25H,9-10H2 ChemAxon inchikey YUHCIIZKQMLHKK-UHFFFAOYSA-N ChemAxon polar_surface_area 145.91 ChemAxon refractivity 98.8 ChemAxon polarizability 39.99 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 8 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26149 Specdb::CMs 46303 Specdb::CMs 162229 Specdb::MsMs 76602 Specdb::MsMs 76603 Specdb::MsMs 76604 Specdb::MsMs 136473 Specdb::MsMs 136474 Specdb::MsMs 136475 Specdb::MsMs 2407166 Specdb::MsMs 2407167 Specdb::MsMs 2407168 Specdb::MsMs 2532387 Specdb::MsMs 2532388 Specdb::MsMs 2532389 HMDB39172 #<Reference:0x000055ce333cdd48> Fruits Unknown generic Herbs and Spices Unknown generic