1.0 2010-04-08 22:05:33 UTC 2019-11-26 02:58:04 UTC FDB002880 Alliospiroside C Constituent of Allium cepa (onion). Alliospiroside C is found in garden onion and onion-family vegetables. Alliospiroside C C38H60O13 724.8752 724.403392006 2-[(4,5-dihydroxy-2-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-ene-4,16'-dioloxy}oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol 2-[(4,5-dihydroxy-2-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-ene-4,16'-dioloxy}oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol 114317-57-6 CC1C2C(CC3C4CC=C5CC(O)CC(OC6OCC(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C5(C)C4CCC23C)OC11CC(O)C(C)CO1 InChI=1S/C38H60O13/c1-16-14-47-38(13-24(16)40)17(2)28-26(51-38)12-23-21-7-6-19-10-20(39)11-27(37(19,5)22(21)8-9-36(23,28)4)49-35-33(30(43)25(41)15-46-35)50-34-32(45)31(44)29(42)18(3)48-34/h6,16-18,20-35,39-45H,7-15H2,1-5H3 CEUOJNPNKKLCDB-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 3-hydroxy delta-5-steroids Cyclic alcohols and derivatives Delta-5-steroids Disaccharides Hydrocarbon derivatives Ketals O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Secondary alcohols Spirostanes and derivatives Tetrahydrofurans Triterpenoids 24-hydroxysteroid 3-hydroxy-delta-5-steroid 3-hydroxysteroid Acetal Alcohol Aliphatic heteropolycyclic compound Cyclic alcohol Delta-5-steroid Disaccharide Glycosyl compound Hydrocarbon derivative Hydroxysteroid Ketal O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Secondary alcohol Spirostane skeleton Steroidal saponin Tetrahydrofuran Triterpenoid logp 0.69 ALOGPS logs -3.28 ALOGPS solubility 3.82e-01 g/l ALOGPS melting_point Mp 223-225° logp 0.78 ChemAxon pka_strongest_acidic 12.13 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 2-[(4,5-dihydroxy-2-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-ene-4,16'-dioloxy}oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol ChemAxon average_mass 724.8752 ChemAxon mono_mass 724.403392006 ChemAxon smiles CC1C2C(CC3C4CC=C5CC(O)CC(OC6OCC(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C5(C)C4CCC23C)OC11CC(O)C(C)CO1 ChemAxon formula C38H60O13 ChemAxon inchi InChI=1S/C38H60O13/c1-16-14-47-38(13-24(16)40)17(2)28-26(51-38)12-23-21-7-6-19-10-20(39)11-27(37(19,5)22(21)8-9-36(23,28)4)49-35-33(30(43)25(41)15-46-35)50-34-32(45)31(44)29(42)18(3)48-34/h6,16-18,20-35,39-45H,7-15H2,1-5H3 ChemAxon inchikey CEUOJNPNKKLCDB-UHFFFAOYSA-N ChemAxon polar_surface_area 196.99 ChemAxon refractivity 180.06 ChemAxon polarizability 78.73 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 13 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 763456 Specdb::CMs 763457 Specdb::CMs 763458 Specdb::CMs 763459 Specdb::CMs 763460 Specdb::CMs 763461 Specdb::CMs 763462 Specdb::CMs 763463 Specdb::CMs 763464 Specdb::CMs 763465 Specdb::CMs 763466 Specdb::CMs 763467 Specdb::CMs 763468 Specdb::CMs 763469 Specdb::CMs 763470 Specdb::CMs 763471 Specdb::CMs 763472 Specdb::CMs 763473 Specdb::CMs 763474 Specdb::CMs 763475 Specdb::CMs 763476 Specdb::CMs 763477 Specdb::CMs 763478 Specdb::CMs 763479 Specdb::CMs 763480 Specdb::MsMs 12596 Specdb::MsMs 12597 Specdb::MsMs 12598 Specdb::MsMs 19268 Specdb::MsMs 19269 Specdb::MsMs 19270 Specdb::MsMs 2340525 Specdb::MsMs 2340526 Specdb::MsMs 2340527 Specdb::MsMs 2625389 Specdb::MsMs 2625390 Specdb::MsMs 2625391 HMDB30914 #<Reference:0x000055ce31f1a7e8> Garden onion Type 1 specific Allium cepa 4679 49.1 49.1 49.1 mg/100 g 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