1.0 2010-04-08 22:15:13 UTC 2019-11-26 03:19:20 UTC FDB020715 Deltoside Constituent of the wild yam Dioscorea deltoidea. Deltoside is found in root vegetables. Deltoside C51H82O23 1063.183 1062.52468893 2-{[4-hydroxy-2-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-6-[7',9',13'-trimethyl-5-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-eneoxy]oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 2-{[4-hydroxy-2-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-6-[7',9',13'-trimethyl-5-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-eneoxy]oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 62751-68-2 CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2OC2OC(C)C(O)C(O)C2O)OC11CCC(COC2OC(CO)C(O)C(O)C2O)CO1 InChI=1S/C51H82O23/c1-20-32-28(74-51(20)12-7-22(19-66-51)18-65-45-39(61)37(59)34(56)29(15-52)69-45)14-27-25-6-5-23-13-24(8-10-49(23,3)26(25)9-11-50(27,32)4)68-48-44(73-46-40(62)36(58)33(55)21(2)67-46)42(64)43(31(17-54)71-48)72-47-41(63)38(60)35(57)30(16-53)70-47/h5,20-22,24-48,52-64H,6-19H2,1-4H3 YPCSVWREJGHDEO-UHFFFAOYSA-N belongs to the class of organic compounds known as steroidal saponins. These are saponins in which the aglycone moiety is a steroid. The steroidal aglycone is usually a spirostane, furostane, spirosolane, solanidane, or curcubitacin derivative. Steroidal saponins Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides Aliphatic heteropolycyclic compounds Delta-5-steroids Hydrocarbon derivatives Ketals O-glycosyl compounds Oligosaccharides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Spirostanes and derivatives Tetrahydrofurans Triterpenoids Acetal Alcohol Aliphatic heteropolycyclic compound Delta-5-steroid Glycosyl compound Hydrocarbon derivative Ketal O-glycosyl compound Oligosaccharide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Spirostane skeleton Steroidal saponin Tetrahydrofuran Triterpenoid logp -0.64 ALOGPS logs -3.07 ALOGPS solubility 9.10e-01 g/l ALOGPS logp -2.5 ChemAxon pka_strongest_acidic 11.75 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 2-{[4-hydroxy-2-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-6-[7',9',13'-trimethyl-5-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-eneoxy]oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 1063.183 ChemAxon mono_mass 1062.52468893 ChemAxon smiles CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2OC2OC(C)C(O)C(O)C2O)OC11CCC(COC2OC(CO)C(O)C(O)C2O)CO1 ChemAxon formula C51H82O23 ChemAxon inchi InChI=1S/C51H82O23/c1-20-32-28(74-51(20)12-7-22(19-66-51)18-65-45-39(61)37(59)34(56)29(15-52)69-45)14-27-25-6-5-23-13-24(8-10-49(23,3)26(25)9-11-50(27,32)4)68-48-44(73-46-40(62)36(58)33(55)21(2)67-46)42(64)43(31(17-54)71-48)72-47-41(63)38(60)35(57)30(16-53)70-47/h5,20-22,24-48,52-64H,6-19H2,1-4H3 ChemAxon inchikey YPCSVWREJGHDEO-UHFFFAOYSA-N ChemAxon polar_surface_area 355.29 ChemAxon refractivity 250.21 ChemAxon polarizability 113.84 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 23 ChemAxon donor_count 13 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 290860 Specdb::MsMs 290861 Specdb::MsMs 290862 Specdb::MsMs 330625 Specdb::MsMs 330626 Specdb::MsMs 330627 Specdb::MsMs 2736032 Specdb::MsMs 2736033 Specdb::MsMs 2736034 Specdb::MsMs 2973792 Specdb::MsMs 2973793 Specdb::MsMs 2973794 Specdb::NmrOneD 43982 Specdb::NmrOneD 43983 Specdb::NmrOneD 43984 Specdb::NmrOneD 43985 Specdb::NmrOneD 43986 Specdb::NmrOneD 43987 Specdb::NmrOneD 43988 Specdb::NmrOneD 43989 Specdb::NmrOneD 43990 Specdb::NmrOneD 43991 Specdb::NmrOneD 43992 Specdb::NmrOneD 43993 Specdb::NmrOneD 43994 Specdb::NmrOneD 43995 Specdb::NmrOneD 43996 Specdb::NmrOneD 43997 Specdb::NmrOneD 43998 Specdb::NmrOneD 43999 Specdb::NmrOneD 44000 Specdb::NmrOneD 44001 HMDB40882 #<Reference:0x000055ce33422320> Root vegetables Unknown generic