1.0 2010-04-08 22:11:05 UTC 2025-11-19 00:43:52 UTC FDB014102 Momordicoside I Constituent of Momordica charantia (bitter melon). Momordicoside I is found in bitter gourd and fruits. Momordicoside I C36H58O8 618.8409 618.413168832 2-({8-[(4E)-6-hydroxy-6-methylhept-4-en-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.0¹,¹³.0⁴,¹².0⁵,⁹]nonadec-2-en-16-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol 2-({8-[(4E)-6-hydroxy-6-methylhept-4-en-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.0¹,¹³.0⁴,¹².0⁵,⁹]nonadec-2-en-16-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol 81371-55-3 CC(C\C=C\C(C)(C)O)C1CCC2(C)C3C=CC45OCC3(CCC12C)C4CCC(OC1OC(CO)C(O)C(O)C1O)C5(C)C InChI=1S/C36H58O8/c1-21(9-8-14-31(2,3)41)22-12-15-34(7)24-13-16-36-25(35(24,20-42-36)18-17-33(22,34)6)10-11-26(32(36,4)5)44-30-29(40)28(39)27(38)23(19-37)43-30/h8,13-14,16,21-30,37-41H,9-12,15,17-20H2,1-7H3/b14-8+ KJEYALWPYVKAPR-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 Cucurbitacins Dialkyl ethers Hexoses Hydrocarbon derivatives O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Tertiary alcohols Tetrahydrofurans Triterpenoids Acetal Alcohol Aliphatic heteropolycyclic compound Cucurbitacin glycoside skeleton Cucurbitacin skeleton Dialkyl ether Ether Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Monosaccharide O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Tertiary alcohol Tetrahydrofuran Triterpenoid logp 4.39 ALOGPS logs -5.16 ALOGPS solubility 4.29e-03 g/l ALOGPS melting_point Mp 210-216° logp 3.71 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -1.6 ChemAxon iupac 2-({8-[(4E)-6-hydroxy-6-methylhept-4-en-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.0¹,¹³.0⁴,¹².0⁵,⁹]nonadec-2-en-16-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 618.8409 ChemAxon mono_mass 618.413168832 ChemAxon smiles CC(C\C=C\C(C)(C)O)C1CCC2(C)C3C=CC45OCC3(CCC12C)C4CCC(OC1OC(CO)C(O)C(O)C1O)C5(C)C ChemAxon formula C36H58O8 ChemAxon inchi InChI=1S/C36H58O8/c1-21(9-8-14-31(2,3)41)22-12-15-34(7)24-13-16-36-25(35(24,20-42-36)18-17-33(22,34)6)10-11-26(32(36,4)5)44-30-29(40)28(39)27(38)23(19-37)43-30/h8,13-14,16,21-30,37-41H,9-12,15,17-20H2,1-7H3/b14-8+ ChemAxon inchikey KJEYALWPYVKAPR-RIYZIHGNSA-N ChemAxon polar_surface_area 128.84 ChemAxon refractivity 169 ChemAxon polarizability 71.02 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 8 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23024 Specdb::CMs 44383 Specdb::CMs 542212 Specdb::CMs 542213 Specdb::CMs 542214 Specdb::CMs 542215 Specdb::CMs 542216 Specdb::CMs 542217 Specdb::CMs 542218 Specdb::CMs 542219 Specdb::CMs 542220 Specdb::CMs 542221 Specdb::CMs 542222 Specdb::CMs 542223 Specdb::CMs 542224 Specdb::CMs 542225 Specdb::CMs 542226 Specdb::CMs 542227 Specdb::CMs 542228 Specdb::CMs 542229 Specdb::CMs 542230 Specdb::CMs 542231 Specdb::CMs 542232 Specdb::CMs 542233 Specdb::CMs 542234 Specdb::MsMs 79356 Specdb::MsMs 79357 Specdb::MsMs 79358 Specdb::MsMs 139923 Specdb::MsMs 139924 Specdb::MsMs 139925 Specdb::MsMs 2678303 Specdb::MsMs 2678304 Specdb::MsMs 2678305 Specdb::MsMs 3029864 Specdb::MsMs 3029865 Specdb::MsMs 3029866 HMDB0035424 Bitter gourd Type 1 specific Momordica charantia 3673 Fruits Unknown generic