1.0 2010-04-08 22:14:03 UTC 2019-11-26 03:16:57 UTC FDB018974 Basellasaponin B Constituent of Basella rubra (Malabar spinach). Basellasaponin B is found in green vegetables and malabar spinach. (+)-Basellasaponin B Basellasaponin B C47H68O21 969.0302 968.425309238 2-(carboxymethoxy)-7-{[4-formyl-4,6a,6b,11,11,14b-hexamethyl-8a-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-3,8-dihydroxy-hexahydro-2H-pyrano[3,4-b][1,4]dioxine-3,5-dicarboxylic acid 2-(carboxymethoxy)-7-{[4-formyl-4,6a,6b,11,11,14b-hexamethyl-8a-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-3,8-dihydroxy-hexahydropyrano[3,4-b][1,4]dioxine-3,5-dicarboxylic acid 354552-02-6 CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C7OC(O)(C(OCC(O)=O)OC7C6O)C(O)=O)C(O)=O)C(C)(C=O)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O InChI=1S/C47H68O21/c1-41(2)13-15-46(39(60)67-36-30(54)29(53)28(52)23(18-48)63-36)16-14-44(5)21(22(46)17-41)7-8-25-42(3)11-10-26(43(4,20-49)24(42)9-12-45(25,44)6)64-37-31(55)32-33(34(65-37)35(56)57)68-47(61,38(58)59)40(66-32)62-19-27(50)51/h7,20,22-26,28-34,36-37,40,48,52-55,61H,8-19H2,1-6H3,(H,50,51)(H,56,57)(H,58,59) BZWGXDPFKVWKCE-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 1,4-dioxanes Acetals Aldehydes Alpha hydroxy acids and derivatives Carboxylic acid esters Carboxylic acids Glucuronic acid derivatives Hemiacetals Hexoses Hydrocarbon derivatives Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Pyranodioxins Pyrans Secondary alcohols Steroids and steroid derivatives Tetracarboxylic acids and derivatives Triterpenoids Acetal Alcohol Aldehyde Aliphatic heteropolycyclic compound Alpha-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Glucuronic acid or derivatives Hemiacetal Hexose monosaccharide Hydrocarbon derivative Hydroxy acid Monosaccharide Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Para-dioxane Polyol Primary alcohol Pyran Pyranodioxin Secondary alcohol Steroid Tetracarboxylic acid or derivatives Triterpene saponin Triterpenoid logp 2.61 ALOGPS logs -4.24 ALOGPS solubility 5.52e-02 g/l ALOGPS melting_point Mp 226-228° logp 2.43 ChemAxon pka_strongest_acidic 2.25 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 2-(carboxymethoxy)-7-{[4-formyl-4,6a,6b,11,11,14b-hexamethyl-8a-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-3,8-dihydroxy-hexahydro-2H-pyrano[3,4-b][1,4]dioxine-3,5-dicarboxylic acid ChemAxon average_mass 969.0302 ChemAxon mono_mass 968.425309238 ChemAxon smiles CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C7OC(O)(C(OCC(O)=O)OC7C6O)C(O)=O)C(O)=O)C(C)(C=O)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O ChemAxon formula C47H68O21 ChemAxon inchi InChI=1S/C47H68O21/c1-41(2)13-15-46(39(60)67-36-30(54)29(53)28(52)23(18-48)63-36)16-14-44(5)21(22(46)17-41)7-8-25-42(3)11-10-26(43(4,20-49)24(42)9-12-45(25,44)6)64-37-31(55)32-33(34(65-37)35(56)57)68-47(61,38(58)59)40(66-32)62-19-27(50)51/h7,20,22-26,28-34,36-37,40,48,52-55,61H,8-19H2,1-6H3,(H,50,51)(H,56,57)(H,58,59) ChemAxon inchikey BZWGXDPFKVWKCE-UHFFFAOYSA-N ChemAxon polar_surface_area 332.03 ChemAxon refractivity 225.9 ChemAxon polarizability 98.91 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 20 ChemAxon donor_count 9 ChemAxon physiological_charge -3 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 12107 Specdb::MsMs 12108 Specdb::MsMs 12109 Specdb::MsMs 18779 Specdb::MsMs 18780 Specdb::MsMs 18781 Specdb::MsMs 2301516 Specdb::MsMs 2301517 Specdb::MsMs 2301518 Specdb::MsMs 3064057 Specdb::MsMs 3064058 Specdb::MsMs 3064059 HMDB39400 #<Reference:0x000055ce322d4dc0> Green vegetables Unknown generic Malabar spinach Type 1 specific Basella alba 3589