1.0 2011-03-17 23:27:28 UTC 2025-11-19 02:39:11 UTC FDB021705 Emodin 1-glucoside Emodin 1-glucoside is a member of the class of compounds known as hydroxyanthraquinones. Hydroxyanthraquinones are compounds containing a hydroxyanthraquinone moiety, which consists of an anthracene bearing a quinone, and hydroxyl group. Emodin 1-glucoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Emodin 1-glucoside can be found in garden rhubarb, which makes emodin 1-glucoside a potential biomarker for the consumption of this food product. 1,3,8-Trihydroxy-6-methylanthraquinone, 8CI; 8-O-b-D-Glucopyranoside Emodin 1-glucoside C21H20O10 432.3775 432.10564686 1,3-dihydroxy-6-methyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracene-9,10-dione 1,3-dihydroxy-6-methyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}anthracene-9,10-dione 38840-23-2 CC1=CC2=C(C(=O)C3=C(C=C(O)C=C3O)C2=O)C(OC2OC(CO)C(O)C(O)C2O)=C1 InChI=1S/C21H20O10/c1-7-2-9-15(18(27)14-10(16(9)25)4-8(23)5-11(14)24)12(3-7)30-21-20(29)19(28)17(26)13(6-22)31-21/h2-5,13,17,19-24,26,28-29H,6H2,1H3 ZXXFEBMBNPRRSI-UHFFFAOYSA-N belongs to the class of organic compounds known as hydroxyanthraquinones. Hydroxyanthraquinones are compounds containing a hydroxyanthraquinone moiety, which consists of an anthracene bearing a quinone, and hydroxyl group. Hydroxyanthraquinones Organic compounds Benzenoids Anthracenes Anthraquinones Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Acetals Aryl ketones Hexoses Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Polyols Primary alcohols Secondary alcohols Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Acetal Alcohol Aromatic heteropolycyclic compound Aryl ketone Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Hydroxyanthraquinone Ketone Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenolic glycoside Polyol Primary alcohol Secondary alcohol Vinylogous acid logp 0.66 ALOGPS logs -2.24 ALOGPS solubility 2.47e+00 g/l ALOGPS melting_point Mp 210-211? logp 0.9 ChemAxon pka_strongest_acidic 7.39 ChemAxon pka_strongest_basic -3 ChemAxon iupac 1,3-dihydroxy-6-methyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracene-9,10-dione ChemAxon average_mass 432.3775 ChemAxon mono_mass 432.10564686 ChemAxon smiles CC1=CC2=C(C(=O)C3=C(C=C(O)C=C3O)C2=O)C(OC2OC(CO)C(O)C(O)C2O)=C1 ChemAxon formula C21H20O10 ChemAxon inchi InChI=1S/C21H20O10/c1-7-2-9-15(18(27)14-10(16(9)25)4-8(23)5-11(14)24)12(3-7)30-21-20(29)19(28)17(26)13(6-22)31-21/h2-5,13,17,19-24,26,28-29H,6H2,1H3 ChemAxon inchikey ZXXFEBMBNPRRSI-UHFFFAOYSA-N ChemAxon polar_surface_area 173.98 ChemAxon refractivity 104.28 ChemAxon polarizability 41.75 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 10 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1243318 Specdb::MsMs 1243319 Specdb::MsMs 1243320 Specdb::MsMs 1358692 Specdb::MsMs 1358693 Specdb::MsMs 1358694 Specdb::MsMs 3606778 Specdb::MsMs 3606779 Specdb::MsMs 3606780 Specdb::MsMs 3606781 Specdb::MsMs 3606782 Specdb::MsMs 3606783 Garden rhubarb Type 1 specific Rheum rhabarbarum 3621