1.0 2010-04-08 22:10:49 UTC 2019-11-26 03:08:43 UTC FDB013615 Momordicoside D Constituent of Momordica charantia (bitter melon). Momordicoside D is found in bitter gourd and fruits. Momordicoside D C42H70O13 782.9974 782.481642326 2-{[14-(3,4-dihydroxy-6-methylhept-5-en-2-yl)-1,6,6,11,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl]oxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol 2-{[14-(3,4-dihydroxy-6-methylhept-5-en-2-yl)-1,6,6,11,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl]oxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol 78887-73-7 CC(C(O)C(O)C=C(C)C)C1CCC2(C)C3CC=C4C(CCC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)C4(C)C)C3(C)CCC12C InChI=1S/C42H70O13/c1-20(2)17-25(44)30(45)21(3)22-13-14-42(8)28-11-9-23-24(40(28,6)15-16-41(22,42)7)10-12-29(39(23,4)5)55-38-36(51)34(49)32(47)27(54-38)19-52-37-35(50)33(48)31(46)26(18-43)53-37/h9,17,21-22,24-38,43-51H,10-16,18-19H2,1-8H3 MIVTTWSEHJAYFE-UHFFFAOYSA-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 Delta-5-steroids Disaccharides Hydrocarbon derivatives Hydroxysteroids O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Triterpenoids 22-hydroxysteroid 23-hydroxysteroid Acetal Alcohol Aliphatic heteropolycyclic compound Cucurbitacin glycoside skeleton Cucurbitacin skeleton Delta-5-steroid Disaccharide Glycosyl compound Hydrocarbon derivative Hydroxysteroid O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Triterpenoid logp 2.26 ALOGPS logs -3.93 ALOGPS solubility 9.12e-02 g/l ALOGPS melting_point Mp 199-200° logp 1.98 ChemAxon pka_strongest_acidic 11.9 ChemAxon pka_strongest_basic -3.3 ChemAxon iupac 2-{[14-(3,4-dihydroxy-6-methylhept-5-en-2-yl)-1,6,6,11,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl]oxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol ChemAxon average_mass 782.9974 ChemAxon mono_mass 782.481642326 ChemAxon smiles CC(C(O)C(O)C=C(C)C)C1CCC2(C)C3CC=C4C(CCC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)C4(C)C)C3(C)CCC12C ChemAxon formula C42H70O13 ChemAxon inchi InChI=1S/C42H70O13/c1-20(2)17-25(44)30(45)21(3)22-13-14-42(8)28-11-9-23-24(40(28,6)15-16-41(22,42)7)10-12-29(39(23,4)5)55-38-36(51)34(49)32(47)27(54-38)19-52-37-35(50)33(48)31(46)26(18-43)53-37/h9,17,21-22,24-38,43-51H,10-16,18-19H2,1-8H3 ChemAxon inchikey MIVTTWSEHJAYFE-UHFFFAOYSA-N ChemAxon polar_surface_area 218.99 ChemAxon refractivity 202.44 ChemAxon polarizability 87.59 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 13 ChemAxon donor_count 9 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 785345 Specdb::CMs 785346 Specdb::CMs 785347 Specdb::CMs 785348 Specdb::CMs 785349 Specdb::CMs 785350 Specdb::CMs 785351 Specdb::CMs 785352 Specdb::CMs 785353 Specdb::CMs 785354 Specdb::CMs 785355 Specdb::CMs 785356 Specdb::CMs 785357 Specdb::CMs 785358 Specdb::CMs 785359 Specdb::CMs 785360 Specdb::CMs 785361 Specdb::CMs 785362 Specdb::MsMs 48078 Specdb::MsMs 48079 Specdb::MsMs 48080 Specdb::MsMs 151659 Specdb::MsMs 151660 Specdb::MsMs 151661 Specdb::MsMs 2299245 Specdb::MsMs 2299246 Specdb::MsMs 2299247 Specdb::MsMs 2639623 Specdb::MsMs 2639624 Specdb::MsMs 2639625 HMDB35011 #<Reference:0x000055ce3044e978> Bitter gourd Type 1 specific Momordica charantia 3673 Fruits Unknown generic