1.0 2010-04-08 22:09:50 UTC 2019-11-26 03:05:29 UTC FDB011818 Coroloside Constituent of Corchorus olitorius (Jew's mallow). Coroloside is found in tea, herbs and spices, and green vegetables. Coroloside C35H54O12 666.7961 666.361527192 4-{11-hydroxy-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-hydroxy-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 57361-71-4 CC1OC(CC(O)C1OC1OC(CO)C(O)C(O)C1O)OC1CCC2(C)C(CCC3C2CCC2(C)C(CCC32O)C2=CC(=O)OC2)C1 InChI=1S/C35H54O12/c1-17-31(47-32-30(41)29(40)28(39)25(15-36)46-32)24(37)14-27(44-17)45-20-6-9-33(2)19(13-20)4-5-23-22(33)7-10-34(3)21(8-11-35(23,34)42)18-12-26(38)43-16-18/h12,17,19-25,27-32,36-37,39-42H,4-11,13-16H2,1-3H3 BKLVUVLBSZAKIF-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 logp 0.68 ALOGPS logs -3.56 ALOGPS solubility 1.85e-01 g/l ALOGPS melting_point Mp 235-237° logp 1.47 ChemAxon pka_strongest_acidic 7.18 ChemAxon pka_strongest_basic 0.24 ChemAxon iupac 4-{11-hydroxy-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 666.7961 ChemAxon mono_mass 666.361527192 ChemAxon smiles CC1OC(CC(O)C1OC1OC(CO)C(O)C(O)C1O)OC1CCC2(C)C(CCC3C2CCC2(C)C(CCC32O)C2=CC(=O)OC2)C1 ChemAxon formula C35H54O12 ChemAxon inchi InChI=1S/C35H54O12/c1-17-31(47-32-30(41)29(40)28(39)25(15-36)46-32)24(37)14-27(44-17)45-20-6-9-33(2)19(13-20)4-5-23-22(33)7-10-34(3)21(8-11-35(23,34)42)18-12-26(38)43-16-18/h12,17,19-25,27-32,36-37,39-42H,4-11,13-16H2,1-3H3 ChemAxon inchikey BKLVUVLBSZAKIF-UHFFFAOYSA-N ChemAxon polar_surface_area 184.6 ChemAxon refractivity 165.41 ChemAxon polarizability 72.43 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 11 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 699429 Specdb::CMs 699430 Specdb::CMs 699431 Specdb::CMs 699432 Specdb::CMs 699433 Specdb::CMs 699434 Specdb::CMs 699435 Specdb::CMs 699436 Specdb::CMs 699437 Specdb::CMs 699438 Specdb::CMs 699439 Specdb::CMs 699440 Specdb::CMs 699441 Specdb::CMs 699442 Specdb::CMs 699443 Specdb::CMs 699444 Specdb::CMs 699445 Specdb::CMs 699446 Specdb::CMs 699447 Specdb::CMs 699448 Specdb::CMs 699449 Specdb::CMs 699450 Specdb::CMs 699451 Specdb::CMs 699452 Specdb::CMs 699453 Specdb::MsMs 12392 Specdb::MsMs 12393 Specdb::MsMs 12394 Specdb::MsMs 19064 Specdb::MsMs 19065 Specdb::MsMs 19066 Specdb::MsMs 2408102 Specdb::MsMs 2408103 Specdb::MsMs 2408104 Specdb::MsMs 2553808 Specdb::MsMs 2553809 Specdb::MsMs 2553810 HMDB33703 #<Reference:0x000055ce3062b1b0> 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