1.0 2010-04-08 22:09:18 UTC 2019-11-26 03:04:08 UTC FDB010804 Corchorusoside E Constituent of Corchorus olitorius (Jew's mallow). Corchorusoside E is found in tea, herbs and spices, and green vegetables. Corchorusoside E C41H64O19 860.9355 860.404179866 4-{5-[(5-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl)oxy]-7,11-dihydroxy-2-(hydroxymethyl)-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl}-2,5-dihydrofuran-2-one 4-{5-[(5-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl)oxy]-7,11-dihydroxy-2-(hydroxymethyl)-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl}-5H-furan-2-one 210637-19-7 CC1OC(CC(O)C1OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)OC1CCC2(CO)C3CCC4(C)C(CCC4(O)C3CCC2(O)C1)C1=CC(=O)OC1 InChI=1S/C41H64O19/c1-18-34(59-37-33(51)31(49)35(26(15-43)58-37)60-36-32(50)30(48)29(47)25(14-42)57-36)24(45)12-28(55-18)56-20-3-8-39(17-44)22-4-7-38(2)21(19-11-27(46)54-16-19)6-10-41(38,53)23(22)5-9-40(39,52)13-20/h11,18,20-26,28-37,42-45,47-53H,3-10,12-17H2,1-2H3 FOSGZTYSSLMLOR-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 Enoate esters Hydrocarbon derivatives Lactones Monocarboxylic acids and derivatives O-glycosyl compounds Oligosaccharides Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Steroidal glycosides Tertiary alcohols 14-hydroxysteroid 19-hydroxysteroid 2-furanone 5-hydroxysteroid Acetal Alcohol Aliphatic heteropolycyclic compound Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cardanolide-glycoside Cyclic alcohol Dihydrofuran Enoate ester Glycosyl compound Hydrocarbon derivative Hydroxysteroid Lactone Monocarboxylic acid or derivatives O-glycosyl compound Oligosaccharide Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Steroidal glycoside Tertiary alcohol logp -1.93 ALOGPS logs -2.72 ALOGPS solubility 1.64e+00 g/l ALOGPS logp -2.8 ChemAxon pka_strongest_acidic 7.18 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac 4-{5-[(5-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl)oxy]-7,11-dihydroxy-2-(hydroxymethyl)-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl}-2,5-dihydrofuran-2-one ChemAxon average_mass 860.9355 ChemAxon mono_mass 860.404179866 ChemAxon smiles CC1OC(CC(O)C1OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)OC1CCC2(CO)C3CCC4(C)C(CCC4(O)C3CCC2(O)C1)C1=CC(=O)OC1 ChemAxon formula C41H64O19 ChemAxon inchi InChI=1S/C41H64O19/c1-18-34(59-37-33(51)31(49)35(26(15-43)58-37)60-36-32(50)30(48)29(47)25(14-42)57-36)24(45)12-28(55-18)56-20-3-8-39(17-44)22-4-7-38(2)21(19-11-27(46)54-16-19)6-10-41(38,53)23(22)5-9-40(39,52)13-20/h11,18,20-26,28-37,42-45,47-53H,3-10,12-17H2,1-2H3 ChemAxon inchikey FOSGZTYSSLMLOR-UHFFFAOYSA-N ChemAxon polar_surface_area 304.21 ChemAxon refractivity 201.09 ChemAxon polarizability 90.96 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 18 ChemAxon donor_count 11 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 57861 Specdb::MsMs 57862 Specdb::MsMs 57863 Specdb::MsMs 113664 Specdb::MsMs 113665 Specdb::MsMs 113666 Specdb::MsMs 2416054 Specdb::MsMs 2416055 Specdb::MsMs 2416056 Specdb::MsMs 2546571 Specdb::MsMs 2546572 Specdb::MsMs 2546573 Specdb::NmrOneD 115478 Specdb::NmrOneD 115479 Specdb::NmrOneD 115480 Specdb::NmrOneD 115481 Specdb::NmrOneD 115482 Specdb::NmrOneD 115483 Specdb::NmrOneD 115484 Specdb::NmrOneD 115485 Specdb::NmrOneD 115486 Specdb::NmrOneD 115487 Specdb::NmrOneD 115488 Specdb::NmrOneD 115489 Specdb::NmrOneD 115490 Specdb::NmrOneD 115491 Specdb::NmrOneD 115492 Specdb::NmrOneD 115493 Specdb::NmrOneD 115494 Specdb::NmrOneD 115495 Specdb::NmrOneD 115496 Specdb::NmrOneD 115497 HMDB32828 #<Reference:0x000055ce31c214d8> 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