1.0 2010-04-08 22:10:22 UTC 2019-11-26 03:07:37 UTC FDB012795 w-O-beta-D-Glucopyranosylaloeemodin Isolated from Chinese rhubarb. w-O-beta-D-Glucopyranosylaloeemodin is found in green vegetables. w-O-b-D-Glucopyranosylaloeemodin C21H20O10 432.3775 432.10564686 1,8-dihydroxy-3-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-9,10-dihydroanthracene-9,10-dione 1,8-dihydroxy-3-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)anthracene-9,10-dione 50488-89-6 OCC1OC(OCC2=CC3=C(C(O)=C2)C(=O)C2=C(C=CC=C2O)C3=O)C(O)C(O)C1O InChI=1S/C21H20O10/c22-6-13-17(26)19(28)20(29)21(31-13)30-7-8-4-10-15(12(24)5-8)18(27)14-9(16(10)25)2-1-3-11(14)23/h1-5,13,17,19-24,26,28-29H,6-7H2 ASQHVCDULHERIH-UHFFFAOYSA-N belongs to the class of organic compounds known as anthraquinones. These are organic compounds containing either anthracene-9,10-quinone, 1,4-anthraquinone, or 1,2-anthraquinone. Anthraquinones 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 Polyols Primary alcohols Secondary alcohols Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 9,10-anthraquinone Acetal Alcohol Anthraquinone Aromatic heteropolycyclic compound Aryl ketone Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Ketone Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Vinylogous acid logp 0.79 ALOGPS logs -2.39 ALOGPS solubility 1.77e+00 g/l ALOGPS melting_point Mp 187-189° logp 1.07 ChemAxon pka_strongest_acidic 9 ChemAxon pka_strongest_basic -3 ChemAxon iupac 1,8-dihydroxy-3-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-9,10-dihydroanthracene-9,10-dione ChemAxon average_mass 432.3775 ChemAxon mono_mass 432.10564686 ChemAxon smiles OCC1OC(OCC2=CC3=C(C(O)=C2)C(=O)C2=C(C=CC=C2O)C3=O)C(O)C(O)C1O ChemAxon formula C21H20O10 ChemAxon inchi InChI=1S/C21H20O10/c22-6-13-17(26)19(28)20(29)21(31-13)30-7-8-4-10-15(12(24)5-8)18(27)14-9(16(10)25)2-1-3-11(14)23/h1-5,13,17,19-24,26,28-29H,6-7H2 ChemAxon inchikey ASQHVCDULHERIH-UHFFFAOYSA-N ChemAxon polar_surface_area 173.98 ChemAxon refractivity 104.34 ChemAxon polarizability 42.42 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 10 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26577 Specdb::CMs 43859 Specdb::CMs 172903 Specdb::MsMs 53187 Specdb::MsMs 53188 Specdb::MsMs 53189 Specdb::MsMs 140703 Specdb::MsMs 140704 Specdb::MsMs 140705 Specdb::MsMs 2245064 Specdb::MsMs 2264658 Specdb::MsMs 2264659 Specdb::MsMs 2264660 Specdb::MsMs 3074022 Specdb::MsMs 3074023 Specdb::MsMs 3074024 HMDB34405 #<Reference:0x000055ce2dd98950> Green vegetables Unknown generic