1.0 2010-04-08 22:13:12 UTC 2019-11-26 03:14:58 UTC FDB017622 1-O-beta-D-Glucopyranosylaloeemodin Constituent of the rhizomes of Rheum undulatum (rhubarb). 1-O-beta-D-Glucopyranosylaloeemodin is found in green vegetables. 1-O-b-D-Glucopyranosylaloeemodin C21H20O10 432.3775 432.10564686 8-hydroxy-3-(hydroxymethyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracene-9,10-dione 8-hydroxy-3-(hydroxymethyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}anthracene-9,10-dione OCC1OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(C=CC=C2O)C3=O)C(O)C(O)C1O InChI=1S/C21H20O10/c22-6-8-4-10-15(18(27)14-9(16(10)25)2-1-3-11(14)24)12(5-8)30-21-20(29)19(28)17(26)13(7-23)31-21/h1-5,13,17,19-24,26,28-29H,6-7H2 SJFGNHVZJUSQBX-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 Aromatic alcohols 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 9,10-anthraquinone Acetal Alcohol Anthraquinone Aromatic alcohol 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 Primary alcohol Secondary alcohol Vinylogous acid logp -0.13 ALOGPS logs -2.26 ALOGPS solubility 2.35e+00 g/l ALOGPS melting_point Mp 174-177° logp -0.074 ChemAxon pka_strongest_acidic 9.39 ChemAxon pka_strongest_basic -3 ChemAxon iupac 8-hydroxy-3-(hydroxymethyl)-1-{[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 OCC1OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(C=CC=C2O)C3=O)C(O)C(O)C1O ChemAxon formula C21H20O10 ChemAxon inchi InChI=1S/C21H20O10/c22-6-8-4-10-15(18(27)14-9(16(10)25)2-1-3-11(14)24)12(5-8)30-21-20(29)19(28)17(26)13(7-23)31-21/h1-5,13,17,19-24,26,28-29H,6-7H2 ChemAxon inchikey SJFGNHVZJUSQBX-UHFFFAOYSA-N ChemAxon polar_surface_area 173.98 ChemAxon refractivity 104.07 ChemAxon polarizability 41.64 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 10 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 71565 Specdb::MsMs 71566 Specdb::MsMs 71567 Specdb::MsMs 130266 Specdb::MsMs 130267 Specdb::MsMs 130268 Specdb::MsMs 2438119 Specdb::MsMs 2438120 Specdb::MsMs 2438121 Specdb::MsMs 2528355 Specdb::MsMs 2528356 Specdb::MsMs 2528357 Specdb::CMs 25091 Specdb::CMs 45751 Specdb::CMs 150470 Specdb::NmrOneD 25442 Specdb::NmrOneD 25443 Specdb::NmrOneD 25444 Specdb::NmrOneD 25445 Specdb::NmrOneD 25446 Specdb::NmrOneD 25447 Specdb::NmrOneD 25448 Specdb::NmrOneD 25449 Specdb::NmrOneD 25450 Specdb::NmrOneD 25451 Specdb::NmrOneD 25452 Specdb::NmrOneD 25453 Specdb::NmrOneD 25454 Specdb::NmrOneD 25455 Specdb::NmrOneD 25456 Specdb::NmrOneD 25457 Specdb::NmrOneD 25458 Specdb::NmrOneD 25459 Specdb::NmrOneD 25460 Specdb::NmrOneD 25461 HMDB38293 #<Reference:0x000055ce32341f38> Green vegetables Unknown generic