1.0 2010-04-08 22:14:09 UTC 2019-11-26 03:17:08 UTC FDB019131 Soyasapogenol B 24-O-b-D-glucoside Constituent of French bean seeds (Phaseolus vulgaris). Soyasapogenol B 24-O-b-D-glucoside is found in pulses, yellow wax bean, and green bean. (3b,22b)-12-Oleanene-3,22,24-triol 24-O-b-D-glucopyranoside 12-Oleanene-3beta,22beta,24-triol 24-O-b-D-glucopyranoside 12-Oleanene-3beta,22beta,24-triol 24-O-b-D-glucoside 3-Dphmc Carbocyclic ara-dap Soyasapogenol B 24-O-b-D-glucopyranoside Soyasapogenol B 24-O-b-D-glucoside C36H60O8 620.8568 620.428818896 2-[(3,9-dihydroxy-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-4-yl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol 2-[(3,9-dihydroxy-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-4-yl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol 115334-08-2 CC1(C)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(COC6OC(CO)C(O)C(O)C6O)C5CCC34C)C2C1 InChI=1S/C36H60O8/c1-31(2)16-21-20-8-9-24-33(4)12-11-25(38)34(5,19-43-30-29(42)28(41)27(40)22(18-37)44-30)23(33)10-13-36(24,7)35(20,6)15-14-32(21,3)26(39)17-31/h8,21-30,37-42H,9-19H2,1-7H3 YTOCWWQIMKHRPX-UHFFFAOYSA-N belongs to the class of organic compounds known as triterpene saponins. These are glycosylated derivatives of triterpene sapogenins. The sapogenin moiety backbone is usually based on the oleanane, ursane, taraxastane, bauerane, lanostane, lupeol, lupane, dammarane, cycloartane, friedelane, hopane, 9b,19-cyclo-lanostane, cycloartane, or cycloartanol skeleton. Triterpene saponins Organic compounds Lipids and lipid-like molecules Prenol lipids Terpene glycosides Aliphatic heteropolycyclic compounds Acetals Cyclic alcohols and derivatives Hexoses Hydrocarbon derivatives O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Steroids and steroid derivatives Triterpenoids Acetal Alcohol Aliphatic heteropolycyclic compound Cyclic alcohol Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Monosaccharide O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Steroid Triterpene saponin Triterpenoid a soyasapogenol B monoglucoside logp 4.01 ALOGPS logs -4.71 ALOGPS solubility 1.22e-02 g/l ALOGPS melting_point Mp 278-280° dec. logp 3.12 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -0.4 ChemAxon iupac 2-[(3,9-dihydroxy-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-4-yl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 620.8568 ChemAxon mono_mass 620.428818896 ChemAxon smiles CC1(C)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(COC6OC(CO)C(O)C(O)C6O)C5CCC34C)C2C1 ChemAxon formula C36H60O8 ChemAxon inchi InChI=1S/C36H60O8/c1-31(2)16-21-20-8-9-24-33(4)12-11-25(38)34(5,19-43-30-29(42)28(41)27(40)22(18-37)44-30)23(33)10-13-36(24,7)35(20,6)15-14-32(21,3)26(39)17-31/h8,21-30,37-42H,9-19H2,1-7H3 ChemAxon inchikey YTOCWWQIMKHRPX-UHFFFAOYSA-N ChemAxon polar_surface_area 139.84 ChemAxon refractivity 167.61 ChemAxon polarizability 71.84 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 8 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14206 Specdb::CMs 544133 Specdb::CMs 544134 Specdb::CMs 544135 Specdb::CMs 544136 Specdb::CMs 544137 Specdb::CMs 544138 Specdb::CMs 544139 Specdb::CMs 544140 Specdb::CMs 544141 Specdb::CMs 544142 Specdb::CMs 544143 Specdb::CMs 544144 Specdb::CMs 544145 Specdb::CMs 544146 Specdb::CMs 544147 Specdb::CMs 544148 Specdb::CMs 544149 Specdb::CMs 544150 Specdb::CMs 544151 Specdb::CMs 544152 Specdb::CMs 544153 Specdb::CMs 544154 Specdb::CMs 544155 Specdb::CMs 544156 Specdb::MsMs 77832 Specdb::MsMs 77833 Specdb::MsMs 77834 Specdb::MsMs 138057 Specdb::MsMs 138058 Specdb::MsMs 138059 Specdb::MsMs 2719665 Specdb::MsMs 2719666 Specdb::MsMs 2719667 Specdb::MsMs 2958936 Specdb::MsMs 2958937 Specdb::MsMs 2958938 HMDB39520 #<Reference:0x000055ce3201eab8> Green bean Type 1 specific Phaseolus vulgaris 3885 Pulses Unknown generic Yellow wax bean Type 1 specific Phaseolus vulgaris 3885