1.0 2010-04-08 22:15:10 UTC 2018-05-29 01:47:37 UTC FDB020654 5-Hydroxyaloin A Constituent of Aloe subspecies leaf 5-Hydroxyaloin A C21H22O10 434.3934 434.121296924 1,5,8-trihydroxy-3-(hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9,10-dihydroanthracen-9-one 1,5,8-trihydroxy-3-(hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one 138373-23-6 OCC1OC(C(O)C(O)C1O)C1C2=C(C(O)=CC(CO)=C2)C(=O)C2=C(O)C=CC(O)=C12 InChI=1S/C21H22O10/c22-5-7-3-8-13(11(26)4-7)18(28)16-10(25)2-1-9(24)15(16)14(8)21-20(30)19(29)17(27)12(6-23)31-21/h1-4,12,14,17,19-27,29-30H,5-6H2 LJCDCYLYUCZUGL-UHFFFAOYSA-N belongs to the class of organic compounds known as anthracenes. These are organic compounds containing a system of three linearly fused benzene rings. Anthracenes Organic compounds Benzenoids Anthracenes Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Aromatic alcohols Aryl ketones C-glycosyl compounds Dialkyl ethers Hexoses Hydrocarbon derivatives Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Alcohol Anthracene Aromatic alcohol Aromatic heteropolycyclic compound Aryl ketone C-glycosyl compound Dialkyl ether Ether Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Ketone Monosaccharide Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Vinylogous acid logp -0.63 ALOGPS logs -2.00 ALOGPS solubility 4.36e+00 g/l ALOGPS logp 0.11 ChemAxon pka_strongest_acidic 9.33 ChemAxon pka_strongest_basic -3 ChemAxon iupac 1,5,8-trihydroxy-3-(hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9,10-dihydroanthracen-9-one ChemAxon average_mass 434.3934 ChemAxon mono_mass 434.121296924 ChemAxon smiles OCC1OC(C(O)C(O)C1O)C1C2=C(C(O)=CC(CO)=C2)C(=O)C2=C(O)C=CC(O)=C12 ChemAxon formula C21H22O10 ChemAxon inchi InChI=1S/C21H22O10/c22-5-7-3-8-13(11(26)4-7)18(28)16-10(25)2-1-9(24)15(16)14(8)21-20(30)19(29)17(27)12(6-23)31-21/h1-4,12,14,17,19-27,29-30H,5-6H2 ChemAxon inchikey LJCDCYLYUCZUGL-UHFFFAOYSA-N ChemAxon polar_surface_area 188.14 ChemAxon refractivity 105.77 ChemAxon polarizability 41.51 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 10 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 304258 Specdb::MsMs 304259 Specdb::MsMs 304260 Specdb::MsMs 347401 Specdb::MsMs 347402 Specdb::MsMs 347403 Specdb::MsMs 2422263 Specdb::MsMs 2422264 Specdb::MsMs 2422265 Specdb::MsMs 2514097 Specdb::MsMs 2514098 Specdb::MsMs 2514099 Specdb::CMs 17298 Specdb::CMs 46990 Specdb::CMs 154836 Specdb::CMs 154839 Specdb::CMs 154841 Specdb::CMs 154842 Specdb::CMs 154844 Specdb::CMs 154846 Specdb::CMs 154848 Specdb::CMs 154850 Specdb::CMs 154852 Specdb::CMs 154854 Specdb::CMs 154856 Specdb::CMs 154858 Specdb::CMs 158061 Specdb::CMs 280012 Specdb::NmrOneD 43642 Specdb::NmrOneD 43643 Specdb::NmrOneD 43644 Specdb::NmrOneD 43645 Specdb::NmrOneD 43646 Specdb::NmrOneD 43647 Specdb::NmrOneD 43648 Specdb::NmrOneD 43649 Specdb::NmrOneD 43650 Specdb::NmrOneD 43651 Specdb::NmrOneD 43652 Specdb::NmrOneD 43653 Specdb::NmrOneD 43654 Specdb::NmrOneD 43655 Specdb::NmrOneD 43656 Specdb::NmrOneD 43657 Specdb::NmrOneD 43658 Specdb::NmrOneD 43659 Specdb::NmrOneD 43660 Specdb::NmrOneD 43661 HMDB40832 #<Reference:0x000055ce31a03138>