1.0 2010-04-08 22:15:34 UTC 2018-05-29 01:50:20 UTC FDB021259 7-Hydroxy-4-methylphthalide O-[arabinosyl-(1->6)-glucoside] Constituent of the bark of Quillaja saponaria (soap-bark tree) 7-Hydroxy-4-methyl-1(3H)-isobenzofuranone O-[b-L-arabinopyranosyl-(1->6)-b-D-glucopyranoside] 7-Hydroxy-4-methylphthalide O-[arabinosyl-(1->6)-glucoside] 7-Hydroxy-4-methylphthalide O-[b-L-arabinopyranosyl-(1->6)-b-D-glucopyranoside] 7-Hydroxy-4-methylphthalide O-[b-L-arabinosyl-(1->6)-b-D-glucoside] C20H26O12 458.4132 458.142426296 4-methyl-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-1,3-dihydro-2-benzofuran-1-one 4-methyl-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-3H-2-benzofuran-1-one 170473-74-2 CC1=C2COC(=O)C2=C(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)C=C1 InChI=1S/C20H26O12/c1-7-2-3-10(12-8(7)4-28-18(12)27)31-20-17(26)15(24)14(23)11(32-20)6-30-19-16(25)13(22)9(21)5-29-19/h2-3,9,11,13-17,19-26H,4-6H2,1H3 QSTWATBAAMDBSL-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 heteropolycyclic compounds Acetals Benzenoids Carboxylic acid esters Disaccharides Hydrocarbon derivatives Lactones Monocarboxylic acids and derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phthalides Polyols Secondary alcohols Acetal Alcohol Aromatic heteropolycyclic compound Benzenoid Carboxylic acid derivative Carboxylic acid ester Disaccharide Hydrocarbon derivative Isobenzofuranone Isocoumaran Lactone Monocarboxylic acid or derivatives O-glycosyl compound Organic oxide Organoheterocyclic compound Oxacycle Oxane Phenolic glycoside Phthalide Polyol Secondary alcohol logp -1.32 ALOGPS logs -1.49 ALOGPS solubility 1.47e+01 g/l ALOGPS logp -1.7 ChemAxon pka_strongest_acidic 11.92 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac 4-methyl-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-1,3-dihydro-2-benzofuran-1-one ChemAxon average_mass 458.4132 ChemAxon mono_mass 458.142426296 ChemAxon smiles CC1=C2COC(=O)C2=C(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)C=C1 ChemAxon formula C20H26O12 ChemAxon inchi InChI=1S/C20H26O12/c1-7-2-3-10(12-8(7)4-28-18(12)27)31-20-17(26)15(24)14(23)11(32-20)6-30-19-16(25)13(22)9(21)5-29-19/h2-3,9,11,13-17,19-26H,4-6H2,1H3 ChemAxon inchikey QSTWATBAAMDBSL-UHFFFAOYSA-N ChemAxon polar_surface_area 184.6 ChemAxon refractivity 102.26 ChemAxon polarizability 44.09 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 11 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17923 Specdb::CMs 47263 Specdb::CMs 155134 Specdb::MsMs 305713 Specdb::MsMs 305714 Specdb::MsMs 305715 Specdb::MsMs 349180 Specdb::MsMs 349181 Specdb::MsMs 349182 Specdb::MsMs 2367379 Specdb::MsMs 2367380 Specdb::MsMs 2367381 Specdb::MsMs 2598595 Specdb::MsMs 2598596 Specdb::MsMs 2598597 Specdb::NmrOneD 46262 Specdb::NmrOneD 46263 Specdb::NmrOneD 46264 Specdb::NmrOneD 46265 Specdb::NmrOneD 46266 Specdb::NmrOneD 46267 Specdb::NmrOneD 46268 Specdb::NmrOneD 46269 Specdb::NmrOneD 46270 Specdb::NmrOneD 46271 Specdb::NmrOneD 46272 Specdb::NmrOneD 46273 Specdb::NmrOneD 46274 Specdb::NmrOneD 46275 Specdb::NmrOneD 46276 Specdb::NmrOneD 46277 Specdb::NmrOneD 46278 Specdb::NmrOneD 46279 Specdb::NmrOneD 46280 Specdb::NmrOneD 46281 HMDB41336 #<Reference:0x000055ce32fc8518>