1.0 2010-04-08 22:12:58 UTC 2019-11-26 03:14:29 UTC FDB017229 Evobioside Constituent of the seeds of Descurainia sophia (flixweed). Evobioside is found in cereals and cereal products, herbs and spices, and beverages. Evobioside Glucodigifucoside C35H54O13 682.7955 682.356441814 4-{5-[(3,4-dihydroxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-11-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl}-2,5-dihydrofuran-2-one 4-{5-[(3,4-dihydroxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-11-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl}-5H-furan-2-one 79435-42-0 CC1OC(OC2CCC3(C)C(CCC4C3CCC3(C)C(CCC43O)C3=CC(=O)OC3)C2)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O InChI=1S/C35H54O13/c1-16-30(48-32-28(41)26(39)25(38)23(14-36)47-32)27(40)29(42)31(45-16)46-19-6-9-33(2)18(13-19)4-5-22-21(33)7-10-34(3)20(8-11-35(22,34)43)17-12-24(37)44-15-17/h12,16,18-23,25-32,36,38-43H,4-11,13-15H2,1-3H3 OQZGLOBKVNEEPK-UHFFFAOYSA-N belongs to the class of organic compounds known as cardenolide glycosides and derivatives. Cardenolide glycosides and derivatives are compounds containing a carbohydrate glycosidically bound to the cardenolide moiety. Cardenolide glycosides and derivatives Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Steroid lactones Aliphatic heteropolycyclic compounds 14-hydroxysteroids Acetals Butenolides Carbonyl compounds Cyclic alcohols and derivatives Disaccharides Enoate esters Hydrocarbon derivatives Lactones Monocarboxylic acids and derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Steroidal glycosides Tertiary alcohols 14-hydroxysteroid 2-furanone Acetal Alcohol Aliphatic heteropolycyclic compound Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cardanolide-glycoside Cyclic alcohol Dihydrofuran Disaccharide Enoate ester Glycosyl compound Hydrocarbon derivative Hydroxysteroid Lactone Monocarboxylic acid or derivatives O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Steroidal glycoside Tertiary alcohol a steroid logp -0.11 ALOGPS logs -3.21 ALOGPS solubility 4.16e-01 g/l ALOGPS melting_point Mp 228-230° logp 0.57 ChemAxon pka_strongest_acidic 7.18 ChemAxon pka_strongest_basic 0.24 ChemAxon iupac 4-{5-[(3,4-dihydroxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-11-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl}-2,5-dihydrofuran-2-one ChemAxon average_mass 682.7955 ChemAxon mono_mass 682.356441814 ChemAxon smiles CC1OC(OC2CCC3(C)C(CCC4C3CCC3(C)C(CCC43O)C3=CC(=O)OC3)C2)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O ChemAxon formula C35H54O13 ChemAxon inchi InChI=1S/C35H54O13/c1-16-30(48-32-28(41)26(39)25(38)23(14-36)47-32)27(40)29(42)31(45-16)46-19-6-9-33(2)18(13-19)4-5-22-21(33)7-10-34(3)20(8-11-35(22,34)43)17-12-24(37)44-15-17/h12,16,18-23,25-32,36,38-43H,4-11,13-15H2,1-3H3 ChemAxon inchikey OQZGLOBKVNEEPK-UHFFFAOYSA-N ChemAxon polar_surface_area 204.83 ChemAxon refractivity 166.92 ChemAxon polarizability 73.49 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 12 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 9104 Specdb::MsMs 9105 Specdb::MsMs 9106 Specdb::MsMs 12149 Specdb::MsMs 12150 Specdb::MsMs 12151 Specdb::MsMs 12428 Specdb::MsMs 12429 Specdb::MsMs 12430 Specdb::MsMs 15776 Specdb::MsMs 15777 Specdb::MsMs 15778 Specdb::MsMs 18821 Specdb::MsMs 18822 Specdb::MsMs 18823 Specdb::MsMs 19100 Specdb::MsMs 19101 Specdb::MsMs 19102 Specdb::MsMs 2691284 Specdb::MsMs 2691285 Specdb::MsMs 2691286 Specdb::MsMs 2990702 Specdb::MsMs 2990703 Specdb::MsMs 2990704 Specdb::NmrOneD 24442 Specdb::NmrOneD 24443 Specdb::NmrOneD 24444 Specdb::NmrOneD 24445 Specdb::NmrOneD 24446 Specdb::NmrOneD 24447 Specdb::NmrOneD 24448 Specdb::NmrOneD 24449 Specdb::NmrOneD 24450 Specdb::NmrOneD 24451 Specdb::NmrOneD 24452 Specdb::NmrOneD 24453 Specdb::NmrOneD 24454 Specdb::NmrOneD 24455 Specdb::NmrOneD 24456 Specdb::NmrOneD 24457 Specdb::NmrOneD 24458 Specdb::NmrOneD 24459 Specdb::NmrOneD 24460 Specdb::NmrOneD 24461 Specdb::CMs 730928 Specdb::CMs 730929 Specdb::CMs 730930 Specdb::CMs 730931 Specdb::CMs 730932 Specdb::CMs 730933 Specdb::CMs 730934 Specdb::CMs 730935 Specdb::CMs 730936 Specdb::CMs 730937 Specdb::CMs 730938 Specdb::CMs 730939 Specdb::CMs 730940 Specdb::CMs 730941 Specdb::CMs 730942 Specdb::CMs 730943 Specdb::CMs 730944 Specdb::CMs 730945 Specdb::CMs 730946 Specdb::CMs 730947 Specdb::CMs 730948 Specdb::CMs 730949 Specdb::CMs 730950 Specdb::CMs 730951 Specdb::CMs 730952 HMDB38020 #<Reference:0x000055ce332d5af8> Beverages Unknown generic Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Herbs and Spices Unknown generic