1.0 2010-04-08 22:10:30 UTC 2025-11-18 23:40:54 UTC FDB013046 Soyasapogenol B 3-O-[a-L-rhamnosyl-(1->2)-[b-D-glucosyl-(1->3)]-b-D-galactosyl-(1->2)-b-D-glucuronide] 22-O-[b-D-glucosyl-(1->2)-a-L-arabinoside] Constituent of soybean molasses (Glycine max). Soyasapogenol B 3-O-[a-L-rhamnosyl-(1->2)-[b-D-glucosyl-(1->3)]-b-D-galactosyl-(1->2)-b-D-glucuronide] 22-O-[b-D-glucosyl-(1->2)-a-L-arabinoside] is found in pulses. Soyasapogenol B 3-O-[a-L-rhamnopyranosyl-(1->2)-[b-D-glucopyranosyl-(1->3)]-b-D-galactopyranosyl-(1->2)-b-D-glucuronopyranoside] 22-O-[b-D-glucopyranosyl-(1->2)-a-L-arabinopyranoside] Soyasapogenol B 3-O-[a-L-rhamnosyl-(1->2)-[b-D-glucosyl-(1->3)]-b-D-galactosyl-(1->2)-b-D-glucuronide] 22-O-[b-D-glucosyl-(1->2)-a-L-arabinoside] C65H106O32 1399.5179 1398.666721296 6-({9-[(4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-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)-3,4-dihydroxy-5-{[5-hydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}oxane-2-carboxylic acid 6-({9-[(4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-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)-3,4-dihydroxy-5-{[5-hydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}oxane-2-carboxylic acid 234761-05-8 CC1OC(OC2C(OC3C(O)C(O)C(OC3OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CC(OC7OCC(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C6(C)CCC54C)C3(C)CO)C(O)=O)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O InChI=1S/C65H106O32/c1-24-35(71)40(76)45(81)54(87-24)97-52-48(93-55-46(82)41(77)37(73)28(19-66)88-55)39(75)30(21-68)90-59(52)96-51-44(80)43(79)49(53(84)85)94-58(51)91-33-12-13-62(5)31(63(33,6)23-69)11-14-65(8)32(62)10-9-25-26-17-60(2,3)18-34(61(26,4)15-16-64(25,65)7)92-57-50(36(72)27(70)22-86-57)95-56-47(83)42(78)38(74)29(20-67)89-56/h9,24,26-52,54-59,66-83H,10-23H2,1-8H3,(H,84,85) CVBNNQMCORDBAG-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 Carboxylic acids Cyclic ketones Dicarboxylic acids and derivatives Dihydropyranones Hydrocarbon derivatives O-glucuronides O-glycosyl compounds Oligosaccharides Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Steroids and steroid derivatives Triterpenoids Vinylogous esters 1-o-glucuronide Acetal Alcohol Aliphatic heteropolycyclic compound Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Cyclic ketone Dicarboxylic acid or derivatives Dihydropyranone Glucuronic acid or derivatives Glycosyl compound Hydrocarbon derivative Hydroxy acid Ketone 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 Vinylogous ester logp -0.26 ALOGPS logs -2.45 ALOGPS solubility 4.97e+00 g/l ALOGPS logp -3.7 ChemAxon pka_strongest_acidic 3.32 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 6-({9-[(4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-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)-3,4-dihydroxy-5-{[5-hydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}oxane-2-carboxylic acid ChemAxon average_mass 1399.5179 ChemAxon mono_mass 1398.666721296 ChemAxon smiles CC1OC(OC2C(OC3C(O)C(O)C(OC3OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CC(OC7OCC(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C6(C)CCC54C)C3(C)CO)C(O)=O)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O ChemAxon formula C65H106O32 ChemAxon inchi InChI=1S/C65H106O32/c1-24-35(71)40(76)45(81)54(87-24)97-52-48(93-55-46(82)41(77)37(73)28(19-66)88-55)39(75)30(21-68)90-59(52)96-51-44(80)43(79)49(53(84)85)94-58(51)91-33-12-13-62(5)31(63(33,6)23-69)11-14-65(8)32(62)10-9-25-26-17-60(2,3)18-34(61(26,4)15-16-64(25,65)7)92-57-50(36(72)27(70)22-86-57)95-56-47(83)42(78)38(74)29(20-67)89-56/h9,24,26-52,54-59,66-83H,10-23H2,1-8H3,(H,84,85) ChemAxon inchikey CVBNNQMCORDBAG-UHFFFAOYSA-N ChemAxon polar_surface_area 512.2 ChemAxon refractivity 322.04 ChemAxon polarizability 143.58 ChemAxon rotatable_bond_count 17 ChemAxon acceptor_count 32 ChemAxon donor_count 19 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 10826 Specdb::MsMs 10827 Specdb::MsMs 10828 Specdb::MsMs 17498 Specdb::MsMs 17499 Specdb::MsMs 17500 Specdb::MsMs 2742220 Specdb::MsMs 2742221 Specdb::MsMs 2742222 Specdb::MsMs 2939582 Specdb::MsMs 2939583 Specdb::MsMs 2939584 Specdb::NmrOneD 126478 Specdb::NmrOneD 126479 Specdb::NmrOneD 126480 Specdb::NmrOneD 126481 Specdb::NmrOneD 126482 Specdb::NmrOneD 126483 Specdb::NmrOneD 126484 Specdb::NmrOneD 126485 Specdb::NmrOneD 126486 Specdb::NmrOneD 126487 Specdb::NmrOneD 126488 Specdb::NmrOneD 126489 Specdb::NmrOneD 126490 Specdb::NmrOneD 126491 Specdb::NmrOneD 126492 Specdb::NmrOneD 126493 Specdb::NmrOneD 126494 Specdb::NmrOneD 126495 Specdb::NmrOneD 126496 Specdb::NmrOneD 126497 HMDB34542 #<Reference:0x000055ce32abc970> Pulses Unknown generic