1.0 2010-04-08 22:10:55 UTC 2019-11-26 03:09:05 UTC FDB013809 Momordicoside B Constituent of Momordica charantia (bitter melon). Momordicoside B is found in bitter gourd and fruits. 1,3-Benzodioxole-5-methylamine 3,4-(Methylenedioxy)benzylamine 3,4-Methylenedioxybenzylamine 5-Aminomethyl-1,3-benzodioxole Benzo-1,3-dioxole-5-methylamine Momordicoside B Piperonylamine C47H80O19 949.1267 948.529380378 6-(5-{[3,4-dihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-1,6,6,11,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-14-yl)-2-methylheptane-2,3,4,5-tetrol 6-(5-{[3,4-dihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-1,6,6,11,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-14-yl)-2-methylheptane-2,3,4,5-tetrol 75799-04-1 CC(C(O)C(O)C(O)C(C)(C)O)C1CCC2(C)C3CC=C4C(CCC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(OC6OCC(O)C(O)C6O)C(O)C5O)C4(C)C)C3(C)CCC12C InChI=1S/C47H80O19/c1-20(29(50)34(55)39(59)44(4,5)60)21-13-14-47(8)27-11-9-22-23(45(27,6)15-16-46(21,47)7)10-12-28(43(22,2)3)65-42-37(58)33(54)38(66-41-35(56)30(51)24(49)18-61-41)26(64-42)19-62-40-36(57)32(53)31(52)25(17-48)63-40/h9,20-21,23-42,48-60H,10-19H2,1-8H3 MOWDSRSBTXORLO-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 Hydrocarbon derivatives Hydroxysteroids O-glycosyl compounds Oligosaccharides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Tertiary alcohols Triterpenoids 22-hydroxysteroid 23-hydroxysteroid 24-hydroxysteroid 25-hydroxysteroid Acetal Alcohol Aliphatic heteropolycyclic compound Cucurbitacin glycoside skeleton Cucurbitacin skeleton Delta-5-steroid Glycosyl compound Hydrocarbon derivative Hydroxysteroid O-glycosyl compound Oligosaccharide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Tertiary alcohol Triterpenoid logp 0.68 ALOGPS logs -3.18 ALOGPS solubility 6.21e-01 g/l ALOGPS melting_point Mp 238-242° dec. logp -1.1 ChemAxon pka_strongest_acidic 11.75 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 6-(5-{[3,4-dihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-1,6,6,11,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-14-yl)-2-methylheptane-2,3,4,5-tetrol ChemAxon average_mass 949.1267 ChemAxon mono_mass 948.529380378 ChemAxon smiles CC(C(O)C(O)C(O)C(C)(C)O)C1CCC2(C)C3CC=C4C(CCC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(OC6OCC(O)C(O)C6O)C(O)C5O)C4(C)C)C3(C)CCC12C ChemAxon formula C47H80O19 ChemAxon inchi InChI=1S/C47H80O19/c1-20(29(50)34(55)39(59)44(4,5)60)21-13-14-47(8)27-11-9-22-23(45(27,6)15-16-46(21,47)7)10-12-28(43(22,2)3)65-42-37(58)33(54)38(66-41-35(56)30(51)24(49)18-61-41)26(64-42)19-62-40-36(57)32(53)31(52)25(17-48)63-40/h9,20-21,23-42,48-60H,10-19H2,1-8H3 ChemAxon inchikey MOWDSRSBTXORLO-UHFFFAOYSA-N ChemAxon polar_surface_area 318.37 ChemAxon refractivity 231.08 ChemAxon polarizability 101.62 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 19 ChemAxon donor_count 13 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 130278 Specdb::NmrOneD 130279 Specdb::NmrOneD 130280 Specdb::NmrOneD 130281 Specdb::NmrOneD 130282 Specdb::NmrOneD 130283 Specdb::NmrOneD 130284 Specdb::NmrOneD 130285 Specdb::NmrOneD 130286 Specdb::NmrOneD 130287 Specdb::NmrOneD 130288 Specdb::NmrOneD 130289 Specdb::NmrOneD 130290 Specdb::NmrOneD 130291 Specdb::NmrOneD 130292 Specdb::NmrOneD 130293 Specdb::NmrOneD 130294 Specdb::NmrOneD 130295 Specdb::NmrOneD 130296 Specdb::NmrOneD 130297 Specdb::MsMs 7367 Specdb::MsMs 7368 Specdb::MsMs 7369 Specdb::MsMs 14039 Specdb::MsMs 14040 Specdb::MsMs 14041 Specdb::MsMs 2663653 Specdb::MsMs 2663654 Specdb::MsMs 2663655 Specdb::MsMs 3015267 Specdb::MsMs 3015268 Specdb::MsMs 3015269 HMDB35169 #<Reference:0x000055ce3211b0b0> Bitter gourd Type 1 specific Momordica charantia 3673 Fruits Unknown generic