1.0 2010-04-08 22:04:32 UTC 2019-11-26 02:54:41 UTC FDB000370 Ophiopogonin C' Constituent of Allium vineale (wild garlic). Ophiopogonin C' is found in onion-family vegetables. (-)-Progenin III Ophiopogonin C' Progenin III Prosapogenin A? Prosapogenin D'1 Prosapogeninanlg of diocin C39H62O12 722.9024 722.424127448 2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-eneoxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol 2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-eneoxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol 19057-67-1 CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)OC11CCC(C)CO1 InChI=1S/C39H62O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(44)30(42)27(16-40)49-36)50-35-33(45)31(43)29(41)20(3)47-35/h6,18-20,22-36,40-45H,7-17H2,1-5H3 HDXIQHTUNGFJIC-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 Disaccharides Hydrocarbon derivatives Ketals O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Spirostanes and derivatives Tetrahydrofurans Triterpenoids Acetal Alcohol Aliphatic heteropolycyclic compound Delta-5-steroid Disaccharide Glycosyl compound Hydrocarbon derivative Ketal O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Spirostane skeleton Steroidal saponin Tetrahydrofuran Triterpenoid logp 2.41 ALOGPS logs -4.09 ALOGPS solubility 5.92e-02 g/l ALOGPS melting_point Mp 238-240° dec. logp 2.43 ChemAxon pka_strongest_acidic 12.1 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-eneoxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol ChemAxon average_mass 722.9024 ChemAxon mono_mass 722.424127448 ChemAxon smiles CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)OC11CCC(C)CO1 ChemAxon formula C39H62O12 ChemAxon inchi InChI=1S/C39H62O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(44)30(42)27(16-40)49-36)50-35-33(45)31(43)29(41)20(3)47-35/h6,18-20,22-36,40-45H,7-17H2,1-5H3 ChemAxon inchikey HDXIQHTUNGFJIC-UHFFFAOYSA-N ChemAxon polar_surface_area 176.76 ChemAxon refractivity 183.55 ChemAxon polarizability 80.57 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 12 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 761398 Specdb::CMs 761399 Specdb::CMs 761400 Specdb::CMs 761401 Specdb::CMs 761402 Specdb::CMs 761403 Specdb::CMs 761404 Specdb::CMs 761405 Specdb::CMs 761406 Specdb::CMs 761407 Specdb::CMs 761408 Specdb::CMs 761409 Specdb::CMs 761410 Specdb::CMs 761411 Specdb::CMs 761412 Specdb::CMs 761413 Specdb::CMs 761414 Specdb::CMs 761415 Specdb::CMs 761416 Specdb::CMs 761417 Specdb::CMs 761418 Specdb::CMs 761419 Specdb::CMs 761420 Specdb::CMs 761421 Specdb::CMs 761422 Specdb::MsMs 7127 Specdb::MsMs 7128 Specdb::MsMs 7129 Specdb::MsMs 8576 Specdb::MsMs 8577 Specdb::MsMs 8578 Specdb::MsMs 13076 Specdb::MsMs 13077 Specdb::MsMs 13078 Specdb::MsMs 13799 Specdb::MsMs 13800 Specdb::MsMs 13801 Specdb::MsMs 15248 Specdb::MsMs 15249 Specdb::MsMs 15250 Specdb::MsMs 19748 Specdb::MsMs 19749 Specdb::MsMs 19750 Specdb::MsMs 2839239 Specdb::MsMs 2839240 Specdb::MsMs 2839241 Specdb::MsMs 2870348 Specdb::MsMs 2870349 Specdb::MsMs 2870350 HMDB29312 #<Reference:0x000055ce31f2a120> Garden onion Type 1 specific Allium cepa 4679 Garden onion (var.) Type 1 specific Allium cepa var. cepa 4679 Green onion Type 1 Onion-family vegetables Unknown generic Red onion Type 1 Welsh onion Type 1 specific Allium fistulosum 35875