1.0 2010-04-08 22:12:18 UTC 2019-11-26 03:12:53 UTC FDB016226 Goyaglycoside e Constituent of Momordica charantia (bitter melon). Goyaglycoside e is found in fruits. Goyaglycoside e C42H68O13 780.9815 780.465992262 2-(hydroxymethyl)-6-{[(3E)-2-methyl-6-(5,9,17,17-tetramethyl-16-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-18-oxapentacyclo[10.5.2.0¹,¹³.0⁴,¹².0⁵,⁹]nonadec-2-en-8-yl)hept-3-en-2-yl]oxy}oxane-3,4,5-triol 2-(hydroxymethyl)-6-{[(3E)-2-methyl-6-(5,9,17,17-tetramethyl-16-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-18-oxapentacyclo[10.5.2.0¹,¹³.0⁴,¹².0⁵,⁹]nonadec-2-en-8-yl)hept-3-en-2-yl]oxy}oxane-3,4,5-triol 333333-12-3 CC(C\C=C\C(C)(C)OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C3C=CC45OCC3(CCC12C)C4CCC(OC1OC(CO)C(O)C(O)C1O)C5(C)C InChI=1S/C42H68O13/c1-22(9-8-14-37(2,3)55-36-34(50)32(48)30(46)25(20-44)53-36)23-12-15-40(7)26-13-16-42-27(41(26,21-51-42)18-17-39(23,40)6)10-11-28(38(42,4)5)54-35-33(49)31(47)29(45)24(19-43)52-35/h8,13-14,16,22-36,43-50H,9-12,15,17-21H2,1-7H3/b14-8+ IZECUWXXDNFCRQ-RIYZIHGNSA-N belongs to the class of organic compounds known as cucurbitacin glycosides. These are polycyclic compounds containing a carbohydrate derivative glycosidically linked to a curcubitane nucleus. Cucurbitacin glycosides Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides Aliphatic heteropolycyclic compounds Acetals Alkyl glycosides Cucurbitacins Dialkyl ethers Fatty acyl glycosides of mono- and disaccharides Hydrocarbon derivatives Monosaccharides O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Tetrahydrofurans Triterpenoids Acetal Alcohol Aliphatic heteropolycyclic compound Alkyl glycoside Cucurbitacin glycoside skeleton Cucurbitacin skeleton Dialkyl ether Ether Fatty acyl Fatty acyl glycoside Fatty acyl glycoside of mono- or disaccharide Glycosyl compound Hydrocarbon derivative Monosaccharide O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Tetrahydrofuran Triterpenoid logp 2.80 ALOGPS logs -4.41 ALOGPS solubility 3.03e-02 g/l ALOGPS logp 1.94 ChemAxon pka_strongest_acidic 11.91 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-(hydroxymethyl)-6-{[(3E)-2-methyl-6-(5,9,17,17-tetramethyl-16-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-18-oxapentacyclo[10.5.2.0¹,¹³.0⁴,¹².0⁵,⁹]nonadec-2-en-8-yl)hept-3-en-2-yl]oxy}oxane-3,4,5-triol ChemAxon average_mass 780.9815 ChemAxon mono_mass 780.465992262 ChemAxon smiles CC(C\C=C\C(C)(C)OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C3C=CC45OCC3(CCC12C)C4CCC(OC1OC(CO)C(O)C(O)C1O)C5(C)C ChemAxon formula C42H68O13 ChemAxon inchi InChI=1S/C42H68O13/c1-22(9-8-14-37(2,3)55-36-34(50)32(48)30(46)25(20-44)53-36)23-12-15-40(7)26-13-16-42-27(41(26,21-51-42)18-17-39(23,40)6)10-11-28(38(42,4)5)54-35-33(49)31(47)29(45)24(19-43)52-35/h8,13-14,16,22-36,43-50H,9-12,15,17-21H2,1-7H3/b14-8+ ChemAxon inchikey IZECUWXXDNFCRQ-RIYZIHGNSA-N ChemAxon polar_surface_area 207.99 ChemAxon refractivity 201.41 ChemAxon polarizability 86.96 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 13 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 73974 Specdb::MsMs 73975 Specdb::MsMs 73976 Specdb::MsMs 133242 Specdb::MsMs 133243 Specdb::MsMs 133244 Specdb::MsMs 2320970 Specdb::MsMs 2320971 Specdb::MsMs 2320972 Specdb::MsMs 2614177 Specdb::MsMs 2614178 Specdb::MsMs 2614179 Specdb::CMs 785063 Specdb::CMs 785064 Specdb::CMs 785065 Specdb::CMs 785066 Specdb::CMs 785067 Specdb::CMs 785068 Specdb::CMs 785069 Specdb::CMs 785070 Specdb::CMs 785071 Specdb::CMs 785072 Specdb::CMs 785073 Specdb::CMs 785074 Specdb::CMs 785075 Specdb::CMs 785076 Specdb::CMs 785077 Specdb::CMs 785078 HMDB37219 #<Reference:0x000055ce31bc3ef0> Fruits Unknown generic