1.0 2010-04-08 22:15:31 UTC 2018-05-29 01:49:58 UTC FDB021180 Cascaroside E Constituent of cascara sagrada Rhamnus purshiana bark Aloe-emodin dianthrone diglucoside Cascaroside E Edadg Emodin dianthrone diglucoside I C27H32O14 580.5346 580.179205732 1,6-dihydroxy-3-methyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracen-9-one 1,6-dihydroxy-3-methyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-10H-anthracen-9-one 164322-83-2 CC1=CC2=C(C(O)=C1)C(=O)C1=C(C=C(O)C=C1OC1OC(CO)C(O)C(O)C1O)C2C1OC(CO)C(O)C(O)C1O InChI=1S/C27H32O14/c1-8-2-10-16(26-24(37)22(35)19(32)14(6-28)39-26)11-4-9(30)5-13(18(11)21(34)17(10)12(31)3-8)40-27-25(38)23(36)20(33)15(7-29)41-27/h2-5,14-16,19-20,22-33,35-38H,6-7H2,1H3 VICGNLNFFZAFLT-UHFFFAOYSA-N belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Phenolic glycosides Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Acetals Anthracenes Aryl ketones C-glycosyl compounds Dialkyl ethers Hydrocarbon derivatives Monosaccharides 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 Acetal Alcohol Anthracene Aromatic heteropolycyclic compound Aryl ketone Benzenoid C-glycosyl compound Dialkyl ether Ether Hydrocarbon derivative Ketone Monosaccharide O-glycosyl compound Organic oxide Organoheterocyclic compound Oxacycle Oxane Phenolic glycoside Polyol Primary alcohol Secondary alcohol Vinylogous acid logp -0.97 ALOGPS logs -1.87 ALOGPS solubility 7.75e+00 g/l ALOGPS melting_point Mp 197-199° logp -1.5 ChemAxon pka_strongest_acidic 7.79 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 1,6-dihydroxy-3-methyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracen-9-one ChemAxon average_mass 580.5346 ChemAxon mono_mass 580.179205732 ChemAxon smiles CC1=CC2=C(C(O)=C1)C(=O)C1=C(C=C(O)C=C1OC1OC(CO)C(O)C(O)C1O)C2C1OC(CO)C(O)C(O)C1O ChemAxon formula C27H32O14 ChemAxon inchi InChI=1S/C27H32O14/c1-8-2-10-16(26-24(37)22(35)19(32)14(6-28)39-26)11-4-9(30)5-13(18(11)21(34)17(10)12(31)3-8)40-27-25(38)23(36)20(33)15(7-29)41-27/h2-5,14-16,19-20,22-33,35-38H,6-7H2,1H3 ChemAxon inchikey VICGNLNFFZAFLT-UHFFFAOYSA-N ChemAxon polar_surface_area 247.06 ChemAxon refractivity 136.14 ChemAxon polarizability 56.33 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 14 ChemAxon donor_count 10 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 321676 Specdb::MsMs 321677 Specdb::MsMs 321678 Specdb::MsMs 369352 Specdb::MsMs 369353 Specdb::MsMs 369354 Specdb::MsMs 3038795 Specdb::MsMs 3038796 Specdb::MsMs 3038797 Specdb::MsMs 3101645 Specdb::MsMs 3101646 Specdb::MsMs 3101647 Specdb::NmrOneD 45822 Specdb::NmrOneD 45823 Specdb::NmrOneD 45824 Specdb::NmrOneD 45825 Specdb::NmrOneD 45826 Specdb::NmrOneD 45827 Specdb::NmrOneD 45828 Specdb::NmrOneD 45829 Specdb::NmrOneD 45830 Specdb::NmrOneD 45831 Specdb::NmrOneD 45832 Specdb::NmrOneD 45833 Specdb::NmrOneD 45834 Specdb::NmrOneD 45835 Specdb::NmrOneD 45836 Specdb::NmrOneD 45837 Specdb::NmrOneD 45838 Specdb::NmrOneD 45839 Specdb::NmrOneD 45840 Specdb::NmrOneD 45841 Specdb::CMs 25116 Specdb::CMs 282551 Specdb::CMs 396916 Specdb::CMs 396917 Specdb::CMs 396918 Specdb::CMs 396919 Specdb::CMs 396920 Specdb::CMs 396921 Specdb::CMs 396922 Specdb::CMs 396923 Specdb::CMs 396924 Specdb::CMs 396925 Specdb::CMs 396926 Specdb::CMs 396927 Specdb::CMs 396928 Specdb::CMs 396929 Specdb::CMs 396930 Specdb::CMs 396931 Specdb::CMs 396932 Specdb::CMs 396933 Specdb::CMs 396934 Specdb::CMs 396935 Specdb::CMs 396936 Specdb::CMs 396937 Specdb::CMs 396938 HMDB41268 #<Reference:0x000055ce326f3e60>