1.0 2010-04-08 22:09:20 UTC 2019-11-26 03:04:12 UTC FDB010857 Glucorhein Isolated from Rheum palmatum (Chinese rhubarb). Glucorhein is found in green vegetables. 8-Glucosylrhein Glucorein Glucorhein Rhein-8-glucoside Calcium Salt C21H18O11 446.361 446.084911418 4-hydroxy-9,10-dioxo-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracene-2-carboxylic acid 4-hydroxy-9,10-dioxo-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}anthracene-2-carboxylic acid 34298-86-7 OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(C=C(C=C2O)C(O)=O)C3=O)C(O)C(O)C1O InChI=1S/C21H18O11/c22-6-12-16(25)18(27)19(28)21(32-12)31-11-3-1-2-8-14(11)17(26)13-9(15(8)24)4-7(20(29)30)5-10(13)23/h1-5,12,16,18-19,21-23,25,27-28H,6H2,(H,29,30) WYKUTTFFZMQCGO-UHFFFAOYSA-N belongs to the class of organic compounds known as anthracenecarboxylic acids. These are organic compounds containing a carboxylic acid group attached to an anthracene ring system. Anthracenecarboxylic acids Organic compounds Benzenoids Anthracenes Anthracenecarboxylic acids and derivatives Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Acetals Anthraquinones Aryl ketones Carboxylic acids Hexoses Hydrocarbon derivatives Hydroxybenzoic acid derivatives Monocarboxylic acids and derivatives Naphthalenecarboxylic acids 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 2-naphthalenecarboxylic acid 2-naphthalenecarboxylic acid or derivatives 9,10-anthraquinone Acetal Alcohol Anthracene carboxylic acid Anthraquinone Aromatic heteropolycyclic compound Aryl ketone Carboxylic acid Carboxylic acid derivative Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Hydroxybenzoic acid Ketone Monocarboxylic acid or derivatives 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 -0.68 ALOGPS logs -2.25 ALOGPS solubility 2.52e+00 g/l ALOGPS melting_point Mp 260-266° logp 0.35 ChemAxon pka_strongest_acidic 3.4 ChemAxon pka_strongest_basic -3 ChemAxon iupac 4-hydroxy-9,10-dioxo-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracene-2-carboxylic acid ChemAxon average_mass 446.361 ChemAxon mono_mass 446.084911418 ChemAxon smiles OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(C=C(C=C2O)C(O)=O)C3=O)C(O)C(O)C1O ChemAxon formula C21H18O11 ChemAxon inchi InChI=1S/C21H18O11/c22-6-12-16(25)18(27)19(28)21(32-12)31-11-3-1-2-8-14(11)17(26)13-9(15(8)24)4-7(20(29)30)5-10(13)23/h1-5,12,16,18-19,21-23,25,27-28H,6H2,(H,29,30) ChemAxon inchikey WYKUTTFFZMQCGO-UHFFFAOYSA-N ChemAxon polar_surface_area 191.05 ChemAxon refractivity 104.51 ChemAxon polarizability 41.96 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 11 ChemAxon donor_count 6 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15854 Specdb::CMs 43005 Specdb::CMs 131167 Specdb::CMs 138901 Specdb::NmrOneD 116418 Specdb::NmrOneD 116419 Specdb::NmrOneD 116420 Specdb::NmrOneD 116421 Specdb::NmrOneD 116422 Specdb::NmrOneD 116423 Specdb::NmrOneD 116424 Specdb::NmrOneD 116425 Specdb::NmrOneD 116426 Specdb::NmrOneD 116427 Specdb::NmrOneD 116428 Specdb::NmrOneD 116429 Specdb::NmrOneD 116430 Specdb::NmrOneD 116431 Specdb::NmrOneD 116432 Specdb::NmrOneD 116433 Specdb::NmrOneD 116434 Specdb::NmrOneD 116435 Specdb::NmrOneD 116436 Specdb::NmrOneD 116437 Specdb::MsMs 58257 Specdb::MsMs 58258 Specdb::MsMs 58259 Specdb::MsMs 114150 Specdb::MsMs 114151 Specdb::MsMs 114152 Specdb::MsMs 2464884 Specdb::MsMs 2464885 Specdb::MsMs 2464886 Specdb::MsMs 2501042 Specdb::MsMs 2501043 Specdb::MsMs 2501044 HMDB32877 #<Reference:0x000055ce316958e8> Green vegetables Unknown generic