1.0 2010-04-08 22:11:45 UTC 2019-11-26 03:11:23 UTC FDB015288 Franguloside Glycoside present in rhubarb root and Cascara sagrada. Franguloside is found in green vegetables. Frangulin A Frangulin A (8CI) Franguloside C21H20O9 416.3781 416.110732238 1,8-dihydroxy-3-methyl-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-9,10-dihydroanthracene-9,10-dione 1,8-dihydroxy-3-methyl-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]anthracene-9,10-dione 521-62-0 CC1OC(OC2=CC3=C(C(O)=C2)C(=O)C2=C(C=C(C)C=C2O)C3=O)C(O)C(O)C1O InChI=1S/C21H20O9/c1-7-3-10-14(12(22)4-7)18(26)15-11(17(10)25)5-9(6-13(15)23)30-21-20(28)19(27)16(24)8(2)29-21/h3-6,8,16,19-24,27-28H,1-2H3 DTTVUKLWJFJOHO-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 Phenolic glycosides Polyols 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 Phenolic glycoside Polyol Secondary alcohol Vinylogous acid logp 1.33 ALOGPS logs -2.36 ALOGPS solubility 1.80e+00 g/l ALOGPS melting_point Mp 228° logp 2.6 ChemAxon pka_strongest_acidic 9.06 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 1,8-dihydroxy-3-methyl-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-9,10-dihydroanthracene-9,10-dione ChemAxon average_mass 416.3781 ChemAxon mono_mass 416.110732238 ChemAxon smiles CC1OC(OC2=CC3=C(C(O)=C2)C(=O)C2=C(C=C(C)C=C2O)C3=O)C(O)C(O)C1O ChemAxon formula C21H20O9 ChemAxon inchi InChI=1S/C21H20O9/c1-7-3-10-14(12(22)4-7)18(26)15-11(17(10)25)5-9(6-13(15)23)30-21-20(28)19(27)16(24)8(2)29-21/h3-6,8,16,19-24,27-28H,1-2H3 ChemAxon inchikey DTTVUKLWJFJOHO-UHFFFAOYSA-N ChemAxon polar_surface_area 153.75 ChemAxon refractivity 102.74 ChemAxon polarizability 41.38 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 9 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12367 Specdb::CMs 44858 Specdb::CMs 162217 Specdb::MsMs 80961 Specdb::MsMs 80962 Specdb::MsMs 80963 Specdb::MsMs 141957 Specdb::MsMs 141958 Specdb::MsMs 141959 Specdb::MsMs 2797463 Specdb::MsMs 2797464 Specdb::MsMs 2797465 Specdb::MsMs 2881976 Specdb::MsMs 2881977 Specdb::MsMs 2881978 HMDB36408 #<Reference:0x000055ce3328b188> Green vegetables Unknown generic