1.0 2010-04-08 22:05:05 UTC 2019-11-26 02:56:39 UTC FDB001738 Epiafzelechin-(4alpha->8)-pelargonidin 3'-glucoside Epiafzelechin-(4alpha->8)-pelargonidin 3'-glucoside is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Epiafzelechin-(4alpha->8)-pelargonidin 3'-glucoside can be found in strawberry, which makes epiafzelechin-(4alpha->8)-pelargonidin 3'-glucoside a potential biomarker for the consumption of this food product. Epiafzelechin-(4alpha->8)-pelargonidin 3-glucoside Epiafzelechin-(4alpha->8)-pelargonidin 3-O-beta-glucopyranoside Epiafzelechin-(4alpha->8)-pelargonidin 3'-glucoside Epiafzelechin(4alpha->8)pelargonidin 3-O-beta-glucopyranoside C36H33O15 705.6382 705.181945386 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2R,3R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2R,3R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium 753008-67-2 OC[C@H]1O[C@@H](OC2=CC3=C([O+]=C2C2=CC=C(O)C=C2)C(C2[C@@H](O)[C@H](OC4=C2C(O)=CC(O)=C4)C2=CC=C(O)C=C2)=C(O)C=C3O)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C36H32O15/c37-13-25-29(44)31(46)32(47)36(50-25)49-24-11-19-20(41)12-22(43)27(35(19)51-33(24)14-1-5-16(38)6-2-14)28-26-21(42)9-18(40)10-23(26)48-34(30(28)45)15-3-7-17(39)8-4-15/h1-12,25,28-32,34,36-37,44-47H,13H2,(H5-,38,39,40,41,42,43)/p+1/t25-,28?,29-,30-,31+,32-,34-,36-/m1/s1 UCHHYHHTRCIREP-HDRWLXGWSA-O belongs to the class of organic compounds known as biflavonoids and polyflavonoids. These are organic compounds containing at least two flavan/flavone units. These units are usually linked through CC or C-O-C bonds. Some examples include C2-O-C3, C2-O-C4, C3'-C3''', and C6-C8''. Biflavonoids and polyflavonoids Organic compounds Phenylpropanoids and polyketides Flavonoids Biflavonoids and polyflavonoids Aromatic heteropolycyclic compounds 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Acetals Alkyl aryl ethers Anthocyanidin-3-O-glycosides Anthocyanidins Benzene and substituted derivatives Flavan-3-ols Flavonoid-3-O-glycosides Heteroaromatic compounds Hexoses Hydrocarbon derivatives O-glycosyl compounds Organic cations Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3-hydroxyflavonoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Acetal Alcohol Alkyl aryl ether Anthocyanidin Anthocyanidin-3-o-glycoside Anthocyanin Aromatic heteropolycyclic compound Benzenoid Benzopyran Bi- and polyflavonoid skeleton Chromane Ether Flavan Flavan-3-ol Flavonoid o-glycoside Flavonoid-3-o-glycoside Glycosyl compound Heteroaromatic compound Hexose monosaccharide Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic cation Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Polyol Primary alcohol Secondary alcohol logp 2.84 ALOGPS logs -3.64 ALOGPS solubility 1.70e-01 g/l ALOGPS logp 2.34 ChemAxon pka_strongest_acidic 6.64 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2R,3R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium ChemAxon average_mass 705.6382 ChemAxon mono_mass 705.181945386 ChemAxon smiles OC[C@H]1O[C@@H](OC2=CC3=C([O+]=C2C2=CC=C(O)C=C2)C(C2[C@@H](O)[C@H](OC4=C2C(O)=CC(O)=C4)C2=CC=C(O)C=C2)=C(O)C=C3O)[C@H](O)[C@@H](O)[C@@H]1O ChemAxon formula C36H33O15 ChemAxon inchi InChI=1S/C36H32O15/c37-13-25-29(44)31(46)32(47)36(50-25)49-24-11-19-20(41)12-22(43)27(35(19)51-33(24)14-1-5-16(38)6-2-14)28-26-21(42)9-18(40)10-23(26)48-34(30(28)45)15-3-7-17(39)8-4-15/h1-12,25,28-32,34,36-37,44-47H,13H2,(H5-,38,39,40,41,42,43)/p+1/t25-,28?,29-,30-,31+,32-,34-,36-/m1/s1 ChemAxon inchikey UCHHYHHTRCIREP-HDRWLXGWSA-O ChemAxon polar_surface_area 263.36 ChemAxon refractivity 184.8 ChemAxon polarizability 68.76 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 14 ChemAxon donor_count 11 ChemAxon physiological_charge 0 ChemAxon formal_charge 1 ChemAxon Specdb::MsMs 60552 Specdb::MsMs 60553 Specdb::MsMs 60554 Specdb::MsMs 116895 Specdb::MsMs 116896 Specdb::MsMs 116897 Strawberry Type 1 specific Fragaria X ananassa 3747