1.0 2010-04-08 22:09:18 UTC 2025-11-18 23:22:10 UTC FDB010797 Corchorusoside B Constituent of Corchorus olitorius (Jew's mallow). Corchorusoside B is found in tea, herbs and spices, and green vegetables. Corchorusoside B C35H54O13 682.7955 682.356441814 4-{11,17-dihydroxy-5-[(4-hydroxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-2,15-dimethyltetracyclo[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]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl}-5H-furan-2-one 210637-16-4 CC1OC(CC(O)C1OC1OC(CO)C(O)C(O)C1O)OC1CCC2(C)C(CCC3C2C(O)CC2(C)C(CCC32O)C2=CC(=O)OC2)C1 InChI=1S/C35H54O13/c1-16-31(48-32-30(42)29(41)28(40)24(14-36)47-32)22(37)12-26(45-16)46-19-6-8-33(2)18(11-19)4-5-21-27(33)23(38)13-34(3)20(7-9-35(21,34)43)17-10-25(39)44-15-17/h10,16,18-24,26-32,36-38,40-43H,4-9,11-15H2,1-3H3 HNHIWJNROSKAOI-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 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 -0.48 ALOGPS logs -3.17 ALOGPS solubility 4.61e-01 g/l ALOGPS logp 0.16 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]-2,15-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(CC(O)C1OC1OC(CO)C(O)C(O)C1O)OC1CCC2(C)C(CCC3C2C(O)CC2(C)C(CCC32O)C2=CC(=O)OC2)C1 ChemAxon formula C35H54O13 ChemAxon inchi InChI=1S/C35H54O13/c1-16-31(48-32-30(42)29(41)28(40)24(14-36)47-32)22(37)12-26(45-16)46-19-6-8-33(2)18(11-19)4-5-21-27(33)23(38)13-34(3)20(7-9-35(21,34)43)17-10-25(39)44-15-17/h10,16,18-24,26-32,36-38,40-43H,4-9,11-15H2,1-3H3 ChemAxon inchikey HNHIWJNROSKAOI-UHFFFAOYSA-N ChemAxon polar_surface_area 204.83 ChemAxon refractivity 167.01 ChemAxon polarizability 73.11 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 12 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 104139 Specdb::MsMs 104140 Specdb::MsMs 104141 Specdb::MsMs 170349 Specdb::MsMs 170350 Specdb::MsMs 170351 Specdb::MsMs 2772077 Specdb::MsMs 2772078 Specdb::MsMs 2772079 Specdb::MsMs 2910548 Specdb::MsMs 2910549 Specdb::MsMs 2910550 Specdb::NmrOneD 115398 Specdb::NmrOneD 115399 Specdb::NmrOneD 115400 Specdb::NmrOneD 115401 Specdb::NmrOneD 115402 Specdb::NmrOneD 115403 Specdb::NmrOneD 115404 Specdb::NmrOneD 115405 Specdb::NmrOneD 115406 Specdb::NmrOneD 115407 Specdb::NmrOneD 115408 Specdb::NmrOneD 115409 Specdb::NmrOneD 115410 Specdb::NmrOneD 115411 Specdb::NmrOneD 115412 Specdb::NmrOneD 115413 Specdb::NmrOneD 115414 Specdb::NmrOneD 115415 Specdb::NmrOneD 115416 Specdb::NmrOneD 115417 Specdb::CMs 730718 Specdb::CMs 730719 Specdb::CMs 730720 Specdb::CMs 730721 Specdb::CMs 730722 Specdb::CMs 730723 Specdb::CMs 730724 Specdb::CMs 730725 Specdb::CMs 730726 Specdb::CMs 730727 Specdb::CMs 730728 Specdb::CMs 730729 Specdb::CMs 730730 Specdb::CMs 730731 Specdb::CMs 730732 Specdb::CMs 730733 Specdb::CMs 730734 Specdb::CMs 730735 Specdb::CMs 730736 Specdb::CMs 730737 Specdb::CMs 730738 Specdb::CMs 730739 Specdb::CMs 730740 Specdb::CMs 730741 Specdb::CMs 730742 HMDB32821 #<Reference:0x000055ce324fcc10> 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