1.02010-04-08 22:05:28 UTC2019-11-26 02:57:46 UTCFDB002653Eruboside BFrom Allium sativum (fresh garlic bulbs). Eruboside B is found in garlic, soft-necked garlic, and onion-family vegetables.Eruboside BC51H84O241081.19831080.5352536162-[(2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-19'-oloxy}oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol2-[(2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-19'-oloxy}oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol186545-52-8CC1C2C(CC3C4CC(O)C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C2O)OC11CCC(C)CO1InChI=1S/C51H84O24/c1-19-5-10-51(66-18-19)20(2)32-27(75-51)13-24-22-12-26(56)25-11-21(6-8-49(25,3)23(22)7-9-50(24,32)4)67-45-41(65)38(62)42(31(17-55)71-45)72-48-44(74-47-40(64)37(61)34(58)29(15-53)69-47)43(35(59)30(16-54)70-48)73-46-39(63)36(60)33(57)28(14-52)68-46/h19-48,52-65H,5-18H2,1-4H3ZQEKBPUAGJKEQO-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 glycosidesAliphatic heteropolycyclic compounds6-hydroxysteroidsCyclic alcohols and derivativesHydrocarbon derivativesKetalsO-glycosyl compoundsOligosaccharidesOxacyclic compoundsOxanesPolyolsPrimary alcoholsSecondary alcoholsSpirostanes and derivativesTetrahydrofuransTriterpenoids6-hydroxysteroidAcetalAlcoholAliphatic heteropolycyclic compoundCyclic alcoholGlycosyl compoundHydrocarbon derivativeHydroxysteroidKetalO-glycosyl compoundOligosaccharideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacycleOxanePolyolPrimary alcoholSecondary alcoholSpirostane skeletonSteroidal saponinTetrahydrofuranTriterpenoidlogp-0.92logs-2.55solubility3.05e+00 g/llogp-3.1pka_strongest_acidic11.75pka_strongest_basic-3.6iupac2-[(2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-19'-oloxy}oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolaverage_mass1081.1983mono_mass1080.535253616smilesCC1C2C(CC3C4CC(O)C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C2O)OC11CCC(C)CO1formulaC51H84O24inchiInChI=1S/C51H84O24/c1-19-5-10-51(66-18-19)20(2)32-27(75-51)13-24-22-12-26(56)25-11-21(6-8-49(25,3)23(22)7-9-50(24,32)4)67-45-41(65)38(62)42(31(17-55)71-45)72-48-44(74-47-40(64)37(61)34(58)29(15-53)69-47)43(35(59)30(16-54)70-48)73-46-39(63)36(60)33(57)28(14-52)68-46/h19-48,52-65H,5-18H2,1-4H3inchikeyZQEKBPUAGJKEQO-UHFFFAOYSA-Npolar_surface_area375.52refractivity250.66polarizability115.1rotatable_bond_count12acceptor_count24donor_count14physiological_charge0formal_charge0Specdb::NmrOneD159410Specdb::NmrOneD159411Specdb::NmrOneD159412Specdb::NmrOneD159413Specdb::NmrOneD159414Specdb::NmrOneD159415Specdb::NmrOneD159416Specdb::NmrOneD159417Specdb::NmrOneD159418Specdb::NmrOneD159419Specdb::NmrOneD159420Specdb::NmrOneD159421Specdb::NmrOneD159422Specdb::NmrOneD159423Specdb::NmrOneD159424Specdb::NmrOneD159425Specdb::NmrOneD159426Specdb::NmrOneD159427Specdb::NmrOneD159428Specdb::NmrOneD159429Specdb::MsMs54612Specdb::MsMs54613Specdb::MsMs54614Specdb::MsMs145602Specdb::MsMs145603Specdb::MsMs145604Specdb::MsMs2444986Specdb::MsMs2444987Specdb::MsMs2444988Specdb::MsMs2521517Specdb::MsMs2521518Specdb::MsMs2521519HMDB29769#<Reference:0x0000555674349890>Garden onionType 1specificAllium cepa4679Garden onion (var.)Type 1specificAllium cepa var. cepa4679GarlicType 1specificAllium sativum4682Green onionType 1Onion-family vegetablesUnknowngenericRed onionType 1Soft-necked garlicType 1specificAllium sativum L. var. sativum4682Welsh onionType 1specificAllium fistulosum35875candidicide756fungicide940A substance used to destroy fungal pests.pesticide1210Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.