1.0 2010-04-08 22:14:09 UTC 2019-11-26 03:17:08 UTC FDB019128 Soyasaponin V Constituent of seeds of soybean (Glycine max) and French bean (Phaseolus vulgaris). Soyasaponin V is found in many foods, some of which are green bean, yellow wax bean, soy bean, and pulses. Soyasaponin Ba Soyasaponin V C48H78O19 959.1215 958.513730314 5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-{[9-hydroxy-4-(hydroxymethyl)-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-3-yl]oxy}oxane-2-carboxylic acid 5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-{[9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}oxane-2-carboxylic acid 114590-20-4 CC1(C)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(CO)C5CCC34C)C2C1 InChI=1S/C48H78O19/c1-43(2)16-22-21-8-9-26-45(4)12-11-28(46(5,20-51)25(45)10-13-48(26,7)47(21,6)15-14-44(22,3)27(52)17-43)64-42-38(34(58)33(57)36(65-42)39(60)61)67-41-37(32(56)30(54)24(19-50)63-41)66-40-35(59)31(55)29(53)23(18-49)62-40/h8,22-38,40-42,49-59H,9-20H2,1-7H3,(H,60,61) WFRQIKSNAYYUJZ-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 Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Cyclic alcohols and derivatives Fatty acyl glycosides Hydrocarbon derivatives Monocarboxylic acids and derivatives O-glucuronides O-glycosyl compounds Oligosaccharides Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Pyrans Secondary alcohols Steroids and steroid derivatives Triterpenoids 1-o-glucuronide Acetal Alcohol Aliphatic heteropolycyclic compound Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Cyclic alcohol Fatty acyl Fatty acyl glycoside Glucuronic acid or derivatives Glycosyl compound Hydrocarbon derivative Hydroxy acid Monocarboxylic acid or derivatives O-glucuronide O-glycosyl compound Oligosaccharide Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Pyran Secondary alcohol Steroid Triterpene saponin Triterpenoid logp 1.53 ALOGPS logs -3.36 ALOGPS solubility 4.18e-01 g/l ALOGPS logp -0.1 ChemAxon pka_strongest_acidic 3.32 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-{[9-hydroxy-4-(hydroxymethyl)-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-3-yl]oxy}oxane-2-carboxylic acid ChemAxon average_mass 959.1215 ChemAxon mono_mass 958.513730314 ChemAxon smiles CC1(C)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(CO)C5CCC34C)C2C1 ChemAxon formula C48H78O19 ChemAxon inchi InChI=1S/C48H78O19/c1-43(2)16-22-21-8-9-26-45(4)12-11-28(46(5,20-51)25(45)10-13-48(26,7)47(21,6)15-14-44(22,3)27(52)17-43)64-42-38(34(58)33(57)36(65-42)39(60)61)67-41-37(32(56)30(54)24(19-50)63-41)66-40-35(59)31(55)29(53)23(18-49)62-40/h8,22-38,40-42,49-59H,9-20H2,1-7H3,(H,60,61) ChemAxon inchikey WFRQIKSNAYYUJZ-UHFFFAOYSA-N ChemAxon polar_surface_area 315.21 ChemAxon refractivity 232.3 ChemAxon polarizability 103.2 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 19 ChemAxon donor_count 12 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 10898 Specdb::MsMs 10899 Specdb::MsMs 10900 Specdb::MsMs 17570 Specdb::MsMs 17571 Specdb::MsMs 17572 Specdb::MsMs 2236564 Specdb::MsMs 2236832 Specdb::MsMs 2236953 Specdb::MsMs 2238444 Specdb::MsMs 2238513 Specdb::MsMs 2238629 Specdb::MsMs 2238932 Specdb::MsMs 2239084 Specdb::MsMs 2239148 Specdb::MsMs 2240479 Specdb::MsMs 2240621 Specdb::MsMs 2241095 Specdb::MsMs 2241213 Specdb::MsMs 2242597 Specdb::MsMs 2242717 Specdb::MsMs 2243110 Specdb::MsMs 2243260 Specdb::MsMs 2244804 Specdb::MsMs 2245297 Specdb::NmrOneD 33662 Specdb::NmrOneD 33663 Specdb::NmrOneD 33664 Specdb::NmrOneD 33665 Specdb::NmrOneD 33666 Specdb::NmrOneD 33667 Specdb::NmrOneD 33668 Specdb::NmrOneD 33669 Specdb::NmrOneD 33670 Specdb::NmrOneD 33671 Specdb::NmrOneD 33672 Specdb::NmrOneD 33673 Specdb::NmrOneD 33674 Specdb::NmrOneD 33675 Specdb::NmrOneD 33676 Specdb::NmrOneD 33677 Specdb::NmrOneD 33678 Specdb::NmrOneD 33679 Specdb::NmrOneD 33680 Specdb::NmrOneD 33681 HMDB39517 #<Reference:0x000055ce317950e0> Green bean Type 1 specific Phaseolus vulgaris 3885 Pulses Unknown generic Soy bean Type 1 specific Glycine max 3847 Yellow wax bean Type 1 specific Phaseolus vulgaris 3885