1.0 2010-04-08 22:09:22 UTC 2025-11-18 23:23:01 UTC FDB010917 Tuberoside C (Ullucus tuberosus) Constituent of Ullucus tuberosus (ulluco). Tuberoside C (Ullucus tuberosus) is found in root vegetables and potato. Tuberoside C (Ullucus tuberosus) C53H84O24 1105.2197 1104.535253616 4-hydroxy-6-{[4-(hydroxymethyl)-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-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylic acid 4-hydroxy-6-{[4-(hydroxymethyl)-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-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylic acid 178894-84-3 CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(OC7OC(CO)C(O)C(O)C7O)C(O)C6OC6OCC(O)C(O)C6O)C(O)=O)C(C)(CO)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O InChI=1S/C53H84O24/c1-48(2)13-15-53(47(69)77-45-37(65)34(62)32(60)26(19-55)72-45)16-14-51(5)22(23(53)17-48)7-8-28-49(3)11-10-29(50(4,21-56)27(49)9-12-52(28,51)6)73-46-40(75-43-35(63)30(58)24(57)20-70-43)38(66)39(41(76-46)42(67)68)74-44-36(64)33(61)31(59)25(18-54)71-44/h7,23-41,43-46,54-66H,8-21H2,1-6H3,(H,67,68) BLVIPBBMPJFHFA-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 Carbonyl compounds Carboxylic acid esters Carboxylic acids Dicarboxylic acids and derivatives Fatty acyl glycosides Hydrocarbon 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 Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Dicarboxylic acid or derivatives Fatty acyl Fatty acyl glycoside Glucuronic acid or derivatives Glycosyl compound Hydrocarbon derivative 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 0.46 ALOGPS logs -2.96 ALOGPS solubility 1.21e+00 g/l ALOGPS logp -1.3 ChemAxon pka_strongest_acidic 3.39 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 4-hydroxy-6-{[4-(hydroxymethyl)-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-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylic acid ChemAxon average_mass 1105.2197 ChemAxon mono_mass 1104.535253616 ChemAxon smiles CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(OC7OC(CO)C(O)C(O)C7O)C(O)C6OC6OCC(O)C(O)C6O)C(O)=O)C(C)(CO)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O ChemAxon formula C53H84O24 ChemAxon inchi InChI=1S/C53H84O24/c1-48(2)13-15-53(47(69)77-45-37(65)34(62)32(60)26(19-55)72-45)16-14-51(5)22(23(53)17-48)7-8-28-49(3)11-10-29(50(4,21-56)27(49)9-12-52(28,51)6)73-46-40(75-43-35(63)30(58)24(57)20-70-43)38(66)39(41(76-46)42(67)68)74-44-36(64)33(61)31(59)25(18-54)71-44/h7,23-41,43-46,54-66H,8-21H2,1-6H3,(H,67,68) ChemAxon inchikey BLVIPBBMPJFHFA-UHFFFAOYSA-N ChemAxon polar_surface_area 391.2 ChemAxon refractivity 258.98 ChemAxon polarizability 116.65 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 23 ChemAxon donor_count 14 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 65319 Specdb::MsMs 65320 Specdb::MsMs 65321 Specdb::MsMs 122697 Specdb::MsMs 122698 Specdb::MsMs 122699 Specdb::MsMs 2789131 Specdb::MsMs 2789132 Specdb::MsMs 2789133 Specdb::MsMs 2919356 Specdb::MsMs 2919357 Specdb::MsMs 2919358 Specdb::NmrOneD 116758 Specdb::NmrOneD 116759 Specdb::NmrOneD 116760 Specdb::NmrOneD 116761 Specdb::NmrOneD 116762 Specdb::NmrOneD 116763 Specdb::NmrOneD 116764 Specdb::NmrOneD 116765 Specdb::NmrOneD 116766 Specdb::NmrOneD 116767 Specdb::NmrOneD 116768 Specdb::NmrOneD 116769 Specdb::NmrOneD 116770 Specdb::NmrOneD 116771 Specdb::NmrOneD 116772 Specdb::NmrOneD 116773 Specdb::NmrOneD 116774 Specdb::NmrOneD 116775 Specdb::NmrOneD 116776 Specdb::NmrOneD 116777 HMDB32932 #<Reference:0x000055ce30281bb8> #<Reference:0x000055ce30281a00> Potato Type 1 specific Solanum tuberosum 4113 Root vegetables Unknown generic