1.0 2010-04-08 22:13:58 UTC 2025-11-19 02:15:11 UTC FDB018840 Medicoside L Constituent of the roots of Medicago sativa (alfalfa). Medicoside L is found in cereals and cereal products. Medicoside L C60H96O30 1297.3862 1296.598641732 3-[(4,5-dihydroxy-3-{[5-hydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl)oxy]-2-hydroxy-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-icosahydropicene-4-carboxylic acid 3-[(4,5-dihydroxy-3-{[5-hydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl)oxy]-2-hydroxy-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-tetradecahydropicene-4-carboxylic acid 128784-75-8 CC1OC(OC2C(O)C(CO)OC(OC3C(O)C(O)C(CO)OC3OC3C(O)CC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(CCC54C)C(=O)OC4OC(CO)C(O)C(O)C4O)C3(C)C(O)=O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O InChI=1S/C60H96O30/c1-22-32(66)37(71)41(75)48(81-22)86-44-36(70)29(21-64)85-52(46(44)88-49-42(76)38(72)33(67)26(18-61)82-49)87-45-40(74)35(69)28(20-63)84-51(45)89-47-25(65)17-56(4)30-9-8-23-24-16-55(2,3)12-14-60(24,54(80)90-50-43(77)39(73)34(68)27(19-62)83-50)15-13-57(23,5)58(30,6)11-10-31(56)59(47,7)53(78)79/h8,22,24-52,61-77H,9-21H2,1-7H3,(H,78,79) RXOLZUNGPCPEOV-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 12-hydroxysteroids Acetals Carbonyl compounds Carboxylic acid esters Carboxylic acids Cyclic alcohols and derivatives Dicarboxylic acids and derivatives Fatty acyl glycosides Hydrocarbon derivatives O-glycosyl compounds Oligosaccharides Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Triterpenoids 12-hydroxysteroid 15-hydroxysteroid Acetal Alcohol Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Dicarboxylic acid or derivatives Fatty acyl Fatty acyl glycoside Glycosyl compound Hydrocarbon derivative Hydroxysteroid O-glycosyl compound Oligosaccharide Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Steroid Triterpene saponin Triterpenoid logp -0.28 ALOGPS logs -2.23 ALOGPS solubility 7.56e+00 g/l ALOGPS logp -3.6 ChemAxon pka_strongest_acidic 4.05 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 3-[(4,5-dihydroxy-3-{[5-hydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl)oxy]-2-hydroxy-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-icosahydropicene-4-carboxylic acid ChemAxon average_mass 1297.3862 ChemAxon mono_mass 1296.598641732 ChemAxon smiles CC1OC(OC2C(O)C(CO)OC(OC3C(O)C(O)C(CO)OC3OC3C(O)CC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(CCC54C)C(=O)OC4OC(CO)C(O)C(O)C4O)C3(C)C(O)=O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O ChemAxon formula C60H96O30 ChemAxon inchi InChI=1S/C60H96O30/c1-22-32(66)37(71)41(75)48(81-22)86-44-36(70)29(21-64)85-52(46(44)88-49-42(76)38(72)33(67)26(18-61)82-49)87-45-40(74)35(69)28(20-63)84-51(45)89-47-25(65)17-56(4)30-9-8-23-24-16-55(2,3)12-14-60(24,54(80)90-50-43(77)39(73)34(68)27(19-62)83-50)15-13-57(23,5)58(30,6)11-10-31(56)59(47,7)53(78)79/h8,22,24-52,61-77H,9-21H2,1-7H3,(H,78,79) ChemAxon inchikey RXOLZUNGPCPEOV-UHFFFAOYSA-N ChemAxon polar_surface_area 490.58 ChemAxon refractivity 297.24 ChemAxon polarizability 133.98 ChemAxon rotatable_bond_count 16 ChemAxon acceptor_count 29 ChemAxon donor_count 18 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 65217 Specdb::MsMs 65218 Specdb::MsMs 65219 Specdb::MsMs 122580 Specdb::MsMs 122581 Specdb::MsMs 122582 Specdb::MsMs 2763547 Specdb::MsMs 2763548 Specdb::MsMs 2763549 Specdb::MsMs 2942374 Specdb::MsMs 2942375 Specdb::MsMs 2942376 Specdb::NmrOneD 32122 Specdb::NmrOneD 32123 Specdb::NmrOneD 32124 Specdb::NmrOneD 32125 Specdb::NmrOneD 32126 Specdb::NmrOneD 32127 Specdb::NmrOneD 32128 Specdb::NmrOneD 32129 Specdb::NmrOneD 32130 Specdb::NmrOneD 32131 Specdb::NmrOneD 32132 Specdb::NmrOneD 32133 Specdb::NmrOneD 32134 Specdb::NmrOneD 32135 Specdb::NmrOneD 32136 Specdb::NmrOneD 32137 Specdb::NmrOneD 32138 Specdb::NmrOneD 32139 Specdb::NmrOneD 32140 Specdb::NmrOneD 32141 HMDB39294 #<Reference:0x000055ce30aa1c08> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic