1.0 2010-04-08 22:15:30 UTC 2019-11-26 03:19:57 UTC FDB021149 Kudzusaponin SA2 Constituent of kudzu (Pueraria lobata). Kudzusaponin SA2 is found in pulses. Kudzusaponin SA2 C47H76O19 945.0949 944.49808025 3,4-dihydroxy-6-{[10-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-9-[(3,4,5-trihydroxyoxan-2-yl)oxy]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid 3,4-dihydroxy-6-{[10-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-9-[(3,4,5-trihydroxyoxan-2-yl)oxy]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid 168288-05-9 CC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C)C(OC2OCC(O)C(O)C2O)C1O InChI=1S/C47H76O19/c1-42(2)16-21-20-8-9-25-44(4)12-11-26(63-41-35(31(55)30(54)34(64-41)38(59)60)65-40-33(57)29(53)28(52)23(17-48)62-40)45(5,19-49)24(44)10-13-47(25,7)46(20,6)15-14-43(21,3)37(36(42)58)66-39-32(56)27(51)22(50)18-61-39/h8,21-37,39-41,48-58H,9-19H2,1-7H3,(H,59,60) SIODGEACWMQOFA-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 Disaccharides Fatty acyl glycosides of mono- and disaccharides Hydrocarbon derivatives Monocarboxylic acids and derivatives O-glucuronides O-glycosyl compounds 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 Disaccharide Fatty acyl Fatty acyl glycoside Fatty acyl glycoside of mono- or disaccharide Glucuronic acid or derivatives Glycosyl compound Hydrocarbon derivative Hydroxy acid Monocarboxylic acid or derivatives O-glucuronide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Pyran Secondary alcohol Steroid Triterpene saponin Triterpenoid logp 1.12 ALOGPS logs -3.33 ALOGPS solubility 4.40e-01 g/l ALOGPS logp -0.39 ChemAxon pka_strongest_acidic 3.36 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 3,4-dihydroxy-6-{[10-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-9-[(3,4,5-trihydroxyoxan-2-yl)oxy]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid ChemAxon average_mass 945.0949 ChemAxon mono_mass 944.49808025 ChemAxon smiles CC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C)C(OC2OCC(O)C(O)C2O)C1O ChemAxon formula C47H76O19 ChemAxon inchi InChI=1S/C47H76O19/c1-42(2)16-21-20-8-9-25-44(4)12-11-26(63-41-35(31(55)30(54)34(64-41)38(59)60)65-40-33(57)29(53)28(52)23(17-48)62-40)45(5,19-49)24(44)10-13-47(25,7)46(20,6)15-14-43(21,3)37(36(42)58)66-39-32(56)27(51)22(50)18-61-39/h8,21-37,39-41,48-58H,9-19H2,1-7H3,(H,59,60) ChemAxon inchikey SIODGEACWMQOFA-UHFFFAOYSA-N ChemAxon polar_surface_area 315.21 ChemAxon refractivity 227.55 ChemAxon polarizability 102.21 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 19 ChemAxon donor_count 12 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 319597 Specdb::MsMs 319598 Specdb::MsMs 319599 Specdb::MsMs 366748 Specdb::MsMs 366749 Specdb::MsMs 366750 Specdb::MsMs 2822156 Specdb::MsMs 2822157 Specdb::MsMs 2822158 Specdb::MsMs 2859577 Specdb::MsMs 2859578 Specdb::MsMs 2859579 Specdb::NmrOneD 45622 Specdb::NmrOneD 45623 Specdb::NmrOneD 45624 Specdb::NmrOneD 45625 Specdb::NmrOneD 45626 Specdb::NmrOneD 45627 Specdb::NmrOneD 45628 Specdb::NmrOneD 45629 Specdb::NmrOneD 45630 Specdb::NmrOneD 45631 Specdb::NmrOneD 45632 Specdb::NmrOneD 45633 Specdb::NmrOneD 45634 Specdb::NmrOneD 45635 Specdb::NmrOneD 45636 Specdb::NmrOneD 45637 Specdb::NmrOneD 45638 Specdb::NmrOneD 45639 Specdb::NmrOneD 45640 Specdb::NmrOneD 45641 HMDB41241 #<Reference:0x000055ce31f8af70> Pulses Unknown generic