1.0 2010-04-08 22:04:34 UTC 2025-11-18 22:18:03 UTC FDB000422 Betavulgaroside I Constituent of Beta vulgaris (sugar beet). Betavulgaroside I is found in root vegetables and malabar spinach. Achyranthoside B Betavulgaroside I C47H70O20 955.0467 954.44604468 7-{[4,4,6a,6b,11,11,14b-heptamethyl-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}-2-(carboxymethoxy)-3,8-dihydroxy-hexahydro-2H-pyrano[3,4-b][1,4]dioxine-3,5-dicarboxylic acid 7-{[4,4,6a,6b,11,11,14b-heptamethyl-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}-2-(carboxymethoxy)-3,8-dihydroxy-hexahydropyrano[3,4-b][1,4]dioxine-3,5-dicarboxylic acid 158511-55-8 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)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O InChI=1S/C47H70O20/c1-41(2)14-16-46(39(59)66-36-30(53)29(52)28(51)23(19-48)62-36)17-15-44(6)21(22(46)18-41)8-9-25-43(5)12-11-26(42(3,4)24(43)10-13-45(25,44)7)63-37-31(54)32-33(34(64-37)35(55)56)67-47(60,38(57)58)40(65-32)61-20-27(49)50/h8,22-26,28-34,36-37,40,48,51-54,60H,9-20H2,1-7H3,(H,49,50)(H,55,56)(H,57,58) UOGGJUUNBPSGHY-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 Alpha hydroxy acids and derivatives Carbonyl compounds Carboxylic acid esters Carboxylic acids Glucuronic acid derivatives Hemiacetals Hexoses Hydrocarbon derivatives Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Pyranodioxins Pyrans Secondary alcohols Tetracarboxylic acids and derivatives Triterpenoids Acetal Alcohol 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 Tetracarboxylic acid or derivatives Triterpene saponin Triterpenoid logp 3.00 ALOGPS logs -4.68 ALOGPS solubility 2.01e-02 g/l ALOGPS melting_point Mp 215-217° logp 3.4 ChemAxon pka_strongest_acidic 2.26 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 7-{[4,4,6a,6b,11,11,14b-heptamethyl-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}-2-(carboxymethoxy)-3,8-dihydroxy-hexahydro-2H-pyrano[3,4-b][1,4]dioxine-3,5-dicarboxylic acid ChemAxon average_mass 955.0467 ChemAxon mono_mass 954.44604468 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)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O ChemAxon formula C47H70O20 ChemAxon inchi InChI=1S/C47H70O20/c1-41(2)14-16-46(39(59)66-36-30(53)29(52)28(51)23(19-48)62-36)17-15-44(6)21(22(46)18-41)8-9-25-43(5)12-11-26(42(3,4)24(43)10-13-45(25,44)7)63-37-31(54)32-33(34(64-37)35(55)56)67-47(60,38(57)58)40(65-32)61-20-27(49)50/h8,22-26,28-34,36-37,40,48,51-54,60H,9-20H2,1-7H3,(H,49,50)(H,55,56)(H,57,58) ChemAxon inchikey UOGGJUUNBPSGHY-UHFFFAOYSA-N ChemAxon polar_surface_area 314.96 ChemAxon refractivity 225.11 ChemAxon polarizability 98.84 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 19 ChemAxon donor_count 9 ChemAxon physiological_charge -3 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 59250 Specdb::MsMs 59251 Specdb::MsMs 59252 Specdb::MsMs 115341 Specdb::MsMs 115342 Specdb::MsMs 115343 Specdb::MsMs 2276511 Specdb::MsMs 2276512 Specdb::MsMs 2276513 Specdb::MsMs 3092479 Specdb::MsMs 3092480 Specdb::MsMs 3092481 HMDB29357 #<Reference:0x000055ce3320bd20> Malabar spinach Type 1 specific Basella alba 3589 Root vegetables Unknown generic UDP-glucuronosyltransferase 1-1 P22309 UGT1A1 UDP-glucuronosyltransferase 1-4 P22310 UGT1A4 UDP-glucuronosyltransferase 1-6 P19224 UGT1A6 UDP-glucuronosyltransferase 1-9 O60656 UGT1A9 UDP-glucuronosyltransferase 2B4 P06133 UGT2B4 UDP-glucuronosyltransferase 2B7 P16662 UGT2B7