1.0 2010-04-08 22:09:17 UTC 2025-11-18 23:21:54 UTC FDB010750 Jujuboside C Constituent Zizyphus jujuba variety spinosa. Jujuboside C is found in fruits. Jujuboside C? C59H96O27 1237.3773 1236.613897866 2-({4-[(4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl)oxy]-5-hydroxy-2-{[16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-en-1-yl)-19,21-dioxahexacyclo[18.2.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁰]tricosan-7-yl]oxy}oxan-3-yl}oxy)-6-methyloxane-3,4,5-triol 2-({4-[(4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl)oxy]-5-hydroxy-2-{[16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-en-1-yl)-19,21-dioxahexacyclo[18.2.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁰]tricosan-7-yl]oxy}oxan-3-yl}oxy)-6-methyloxane-3,4,5-triol 194852-14-7 CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CCC4C6C7(CC54CO7)OC(CC6(C)O)C=C(C)C)C3(C)C)OCC(O)C2OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O InChI=1S/C59H96O27/c1-23(2)15-25-16-57(8,74)48-26-9-10-32-55(6)13-12-33(54(4,5)31(55)11-14-56(32,7)58(26)21-59(48,86-25)77-22-58)82-52-47(85-50-43(72)38(67)34(63)24(3)78-50)45(27(62)19-75-52)83-53-46(84-51-44(73)40(69)36(65)29(18-61)80-51)41(70)37(66)30(81-53)20-76-49-42(71)39(68)35(64)28(17-60)79-49/h15,24-53,60-74H,9-14,16-22H2,1-8H3 GZXHBOYNBUVMSN-UHFFFAOYSA-N belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Triterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Triterpenoids Aliphatic heteropolycyclic compounds Hydrocarbon derivatives Ketals Naphthalenes Naphthopyrans O-glycosyl compounds Oligosaccharides Oxacyclic compounds Oxanes Polyols Primary alcohols Pyrans Secondary alcohols Steroids and steroid derivatives Tertiary alcohols Tetrahydrofurans Acetal Alcohol Aliphatic heteropolycyclic compound Glycosyl compound Hydrocarbon derivative Ketal Naphthalene Naphthopyran O-glycosyl compound Oligosaccharide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Pyran Secondary alcohol Steroid Tertiary alcohol Tetrahydrofuran Triterpenoid logp -0.22 ALOGPS logs -2.65 ALOGPS solubility 2.74e+00 g/l ALOGPS melting_point Mp 229-231° logp -2.3 ChemAxon pka_strongest_acidic 11.75 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 2-({4-[(4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl)oxy]-5-hydroxy-2-{[16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-en-1-yl)-19,21-dioxahexacyclo[18.2.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁰]tricosan-7-yl]oxy}oxan-3-yl}oxy)-6-methyloxane-3,4,5-triol ChemAxon average_mass 1237.3773 ChemAxon mono_mass 1236.613897866 ChemAxon smiles CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CCC4C6C7(CC54CO7)OC(CC6(C)O)C=C(C)C)C3(C)C)OCC(O)C2OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O ChemAxon formula C59H96O27 ChemAxon inchi InChI=1S/C59H96O27/c1-23(2)15-25-16-57(8,74)48-26-9-10-32-55(6)13-12-33(54(4,5)31(55)11-14-56(32,7)58(26)21-59(48,86-25)77-22-58)82-52-47(85-50-43(72)38(67)34(63)24(3)78-50)45(27(62)19-75-52)83-53-46(84-51-44(73)40(69)36(65)29(18-61)80-51)41(70)37(66)30(81-53)20-76-49-42(71)39(68)35(64)28(17-60)79-49/h15,24-53,60-74H,9-14,16-22H2,1-8H3 ChemAxon inchikey GZXHBOYNBUVMSN-UHFFFAOYSA-N ChemAxon polar_surface_area 414.21 ChemAxon refractivity 289.37 ChemAxon polarizability 128.34 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 27 ChemAxon donor_count 15 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 10133 Specdb::MsMs 10134 Specdb::MsMs 10135 Specdb::MsMs 16805 Specdb::MsMs 16806 Specdb::MsMs 16807 Specdb::MsMs 3053030 Specdb::MsMs 3053031 Specdb::MsMs 3053032 Specdb::MsMs 3114311 Specdb::MsMs 3114312 Specdb::MsMs 3114313 Specdb::NmrOneD 115158 Specdb::NmrOneD 115159 Specdb::NmrOneD 115160 Specdb::NmrOneD 115161 Specdb::NmrOneD 115162 Specdb::NmrOneD 115163 Specdb::NmrOneD 115164 Specdb::NmrOneD 115165 Specdb::NmrOneD 115166 Specdb::NmrOneD 115167 Specdb::NmrOneD 115168 Specdb::NmrOneD 115169 Specdb::NmrOneD 115170 Specdb::NmrOneD 115171 Specdb::NmrOneD 115172 Specdb::NmrOneD 115173 Specdb::NmrOneD 115174 Specdb::NmrOneD 115175 Specdb::NmrOneD 115176 Specdb::NmrOneD 115177 HMDB32780 #<Reference:0x000055ce31be7c60> Fruits Unknown generic