1.0 2010-04-08 22:10:28 UTC 2019-11-26 03:07:50 UTC FDB013002 Soyasapogenol A Constituent of soya bean saponin. Soyasapogenol A is found in soy bean and pulses. Soyasapogenol A Soyasapogenol M4 C30H50O4 474.7156 474.370910088 9-(hydroxymethyl)-2,2,4a,6a,6b,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-3,4,10-triol 9-(hydroxymethyl)-2,2,4a,6a,6b,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-3,4,10-triol 508-01-0 CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C)C(O)C1O InChI=1S/C30H50O4/c1-25(2)16-19-18-8-9-21-27(4)12-11-22(32)28(5,17-31)20(27)10-13-30(21,7)29(18,6)15-14-26(19,3)24(34)23(25)33/h8,19-24,31-34H,9-17H2,1-7H3 CDDWAYFUFNQLRZ-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 homopolycyclic compounds Cyclic alcohols and derivatives Hydrocarbon derivatives Polyols Primary alcohols Secondary alcohols Steroids and steroid derivatives Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Hydrocarbon derivative Organic oxygen compound Organooxygen compound Polyol Primary alcohol Secondary alcohol Steroid Triterpenoid a soyasapogenol logp 4.83 ALOGPS logs -4.68 ALOGPS solubility 9.94e-03 g/l ALOGPS melting_point Mp 308-312° logp 3.97 ChemAxon pka_strongest_acidic 13.41 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 9-(hydroxymethyl)-2,2,4a,6a,6b,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-3,4,10-triol ChemAxon average_mass 474.7156 ChemAxon mono_mass 474.370910088 ChemAxon smiles CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C)C(O)C1O ChemAxon formula C30H50O4 ChemAxon inchi InChI=1S/C30H50O4/c1-25(2)16-19-18-8-9-21-27(4)12-11-22(32)28(5,17-31)20(27)10-13-30(21,7)29(18,6)15-14-26(19,3)24(34)23(25)33/h8,19-24,31-34H,9-17H2,1-7H3 ChemAxon inchikey CDDWAYFUFNQLRZ-UHFFFAOYSA-N ChemAxon polar_surface_area 80.92 ChemAxon refractivity 136.4 ChemAxon polarizability 56.89 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 4 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 9566 Specdb::MsMs 9567 Specdb::MsMs 9568 Specdb::MsMs 16238 Specdb::MsMs 16239 Specdb::MsMs 16240 Specdb::MsMs 2250840 Specdb::MsMs 2251580 Specdb::MsMs 2401871 Specdb::MsMs 2401872 Specdb::MsMs 2401873 Specdb::MsMs 2533911 Specdb::MsMs 2533912 Specdb::MsMs 2533913 Specdb::CMs 16638 Specdb::CMs 119589 Specdb::CMs 147189 Specdb::CMs 160960 Specdb::CMs 160962 Specdb::CMs 160963 Specdb::CMs 280310 Specdb::CMs 1003175 Specdb::CMs 1003176 Specdb::CMs 1003177 Specdb::CMs 1003178 Specdb::CMs 1003179 Specdb::CMs 1003180 Specdb::CMs 1003181 Specdb::CMs 1003182 Specdb::CMs 1003183 Specdb::CMs 1003184 Specdb::CMs 1003185 Specdb::CMs 1003186 Specdb::CMs 1003187 Specdb::CMs 1003188 Specdb::CMs 1003189 Specdb::CMs 1003190 Specdb::CMs 1003191 Specdb::CMs 1003192 HMDB34505 #<Reference:0x00007f091fae0c48> Pulses Unknown generic Soy bean Type 1 specific Glycine max 3847