1.0 2010-04-08 22:09:27 UTC 2025-11-18 23:24:23 UTC FDB011080 Corchorusoside D Constituent of Corchorus olitorius (Jew's mallow). Corchorusoside D is found in tea, herbs and spices, and green vegetables. Corchorusoside D C35H54O14 698.7949 698.351356436 4-{11,17-dihydroxy-5-[(4-hydroxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-2-(hydroxymethyl)-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl}-2,5-dihydrofuran-2-one 4-{11,17-dihydroxy-5-[(4-hydroxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-2-(hydroxymethyl)-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl}-5H-furan-2-one 210637-18-6 CC1OC(CC(O)C1OC1OC(CO)C(O)C(O)C1O)OC1CCC2(CO)C(CCC3C2C(O)CC2(C)C(CCC32O)C2=CC(=O)OC2)C1 InChI=1S/C35H54O14/c1-16-31(49-32-30(43)29(42)28(41)24(13-36)48-32)22(38)11-26(46-16)47-19-5-7-34(15-37)18(10-19)3-4-21-27(34)23(39)12-33(2)20(6-8-35(21,33)44)17-9-25(40)45-14-17/h9,16,18-24,26-32,36-39,41-44H,3-8,10-15H2,1-2H3 JDZAOLKPOCCARR-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 11-hydroxysteroids 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 11-hydroxysteroid 14-hydroxysteroid 19-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 logp -1.31 ALOGPS logs -2.90 ALOGPS solubility 8.86e-01 g/l ALOGPS logp -1.1 ChemAxon pka_strongest_acidic 7.18 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 4-{11,17-dihydroxy-5-[(4-hydroxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-2-(hydroxymethyl)-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl}-2,5-dihydrofuran-2-one ChemAxon average_mass 698.7949 ChemAxon mono_mass 698.351356436 ChemAxon smiles CC1OC(CC(O)C1OC1OC(CO)C(O)C(O)C1O)OC1CCC2(CO)C(CCC3C2C(O)CC2(C)C(CCC32O)C2=CC(=O)OC2)C1 ChemAxon formula C35H54O14 ChemAxon inchi InChI=1S/C35H54O14/c1-16-31(49-32-30(43)29(42)28(41)24(13-36)48-32)22(38)11-26(46-16)47-19-5-7-34(15-37)18(10-19)3-4-21-27(34)23(39)12-33(2)20(6-8-35(21,33)44)17-9-25(40)45-14-17/h9,16,18-24,26-32,36-39,41-44H,3-8,10-15H2,1-2H3 ChemAxon inchikey JDZAOLKPOCCARR-UHFFFAOYSA-N ChemAxon polar_surface_area 225.06 ChemAxon refractivity 168.78 ChemAxon polarizability 73.83 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 13 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 117818 Specdb::NmrOneD 117819 Specdb::NmrOneD 117820 Specdb::NmrOneD 117821 Specdb::NmrOneD 117822 Specdb::NmrOneD 117823 Specdb::NmrOneD 117824 Specdb::NmrOneD 117825 Specdb::NmrOneD 117826 Specdb::NmrOneD 117827 Specdb::NmrOneD 117828 Specdb::NmrOneD 117829 Specdb::NmrOneD 117830 Specdb::NmrOneD 117831 Specdb::NmrOneD 117832 Specdb::NmrOneD 117833 Specdb::NmrOneD 117834 Specdb::NmrOneD 117835 Specdb::NmrOneD 117836 Specdb::NmrOneD 117837 Specdb::MsMs 69852 Specdb::MsMs 69853 Specdb::MsMs 69854 Specdb::MsMs 128220 Specdb::MsMs 128221 Specdb::MsMs 128222 Specdb::MsMs 2382809 Specdb::MsMs 2382810 Specdb::MsMs 2382811 Specdb::MsMs 2580339 Specdb::MsMs 2580340 Specdb::MsMs 2580341 Specdb::CMs 747244 Specdb::CMs 747245 Specdb::CMs 747246 Specdb::CMs 747247 Specdb::CMs 747248 Specdb::CMs 747249 Specdb::CMs 747250 Specdb::CMs 747251 Specdb::CMs 747252 Specdb::CMs 747253 Specdb::CMs 747254 Specdb::CMs 747255 Specdb::CMs 747256 Specdb::CMs 747257 Specdb::CMs 747258 Specdb::CMs 747259 Specdb::CMs 747260 Specdb::CMs 747261 Specdb::CMs 747262 Specdb::CMs 747263 Specdb::CMs 747264 Specdb::CMs 747265 Specdb::CMs 747266 Specdb::CMs 747267 Specdb::CMs 747268 HMDB33085 #<Reference:0x000055ce306c8578> Black tea Type 1 Green tea Type 1 Green vegetables Unknown generic Herbal tea Type 1 Herbs and Spices Unknown generic Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442