1.02010-04-08 22:09:38 UTC2019-11-26 03:04:56 UTCFDB011436Yayoisaponin BConstituent of mutant of Allium ampeloprasum (great-head garlic). Yayoisaponin B is found in onion-family vegetables.Yayoisaponin BC56H90O291227.29641226.55677691816'-({5-[(3-{[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl)oxy]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-19'-hydroxy-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-15'-one16'-({5-[(3-{[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl)oxy]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-19'-hydroxy-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-15'-one218934-74-8CC1C2C(CC3C4CC(O)C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)C(O)C6O)C(=O)CC5(C)C4CCC23C)OC11CCC(C)CO1InChI=1S/C56H90O29/c1-19-5-8-56(75-17-19)20(2)34-29(85-56)10-23-21-9-25(61)24-11-28(26(62)12-55(24,4)22(21)6-7-54(23,34)3)76-50-43(72)40(69)45(33(16-60)80-50)81-53-48(47(38(67)32(15-59)79-53)83-49-41(70)35(64)27(63)18-74-49)84-52-44(73)46(37(66)31(14-58)78-52)82-51-42(71)39(68)36(65)30(13-57)77-51/h19-25,27-53,57-61,63-73H,5-18H2,1-4H3JPQIKXKRKWQQOU-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 saponinsOrganic compoundsLipids and lipid-like moleculesSteroids and steroid derivativesSteroidal glycosideslogp-1.16logs-1.87solubility1.67e+01 g/llogp-4.9pka_strongest_acidic11.68pka_strongest_basic-3.7iupac16'-({5-[(3-{[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl)oxy]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-19'-hydroxy-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-15'-oneaverage_mass1227.2964mono_mass1226.556776918smilesCC1C2C(CC3C4CC(O)C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)C(O)C6O)C(=O)CC5(C)C4CCC23C)OC11CCC(C)CO1formulaC56H90O29inchiInChI=1S/C56H90O29/c1-19-5-8-56(75-17-19)20(2)34-29(85-56)10-23-21-9-25(61)24-11-28(26(62)12-55(24,4)22(21)6-7-54(23,34)3)76-50-43(72)40(69)45(33(16-60)80-50)81-53-48(47(38(67)32(15-59)79-53)83-49-41(70)35(64)27(63)18-74-49)84-52-44(73)46(37(66)31(14-58)78-52)82-51-42(71)39(68)36(65)30(13-57)77-51/h19-25,27-53,57-61,63-73H,5-18H2,1-4H3inchikeyJPQIKXKRKWQQOU-UHFFFAOYSA-Npolar_surface_area451.51refractivity277.58polarizability126.29rotatable_bond_count14acceptor_count29donor_count16physiological_charge0formal_charge0Specdb::NmrOneD119718Specdb::NmrOneD119719Specdb::NmrOneD119720Specdb::NmrOneD119721Specdb::NmrOneD119722Specdb::NmrOneD119723Specdb::NmrOneD119724Specdb::NmrOneD119725Specdb::NmrOneD119726Specdb::NmrOneD119727Specdb::NmrOneD119728Specdb::NmrOneD119729Specdb::NmrOneD119730Specdb::NmrOneD119731Specdb::NmrOneD119732Specdb::NmrOneD119733Specdb::NmrOneD119734Specdb::NmrOneD119735Specdb::NmrOneD119736Specdb::NmrOneD119737Specdb::MsMs84894Specdb::MsMs84895Specdb::MsMs84896Specdb::MsMs146865Specdb::MsMs146866Specdb::MsMs146867Specdb::MsMs2473754Specdb::MsMs2473755Specdb::MsMs2473756Specdb::MsMs2489457Specdb::MsMs2489458Specdb::MsMs2489459HMDB33402#<Reference:0x00005556732cc9b8>Garden onionType 1specificAllium cepa4679Garden onion (var.)Type 1specificAllium cepa var. cepa4679Green onionType 1Onion-family vegetablesUnknowngenericRed onionType 1Welsh onionType 1specificAllium fistulosum35875