1.0 2010-04-08 22:10:12 UTC 2025-11-18 23:37:21 UTC FDB012500 alpha-Solanine Alkaloid from potato (Solanum tuberosum) and very many other Solanum subspecies (Solanaceae). Responsible for the teratogenicity of sprouting potatoes. alpha-Solanine is found in alcoholic beverages, garden tomato (variety), and potato. a-Solanine alpha-Solanine Solanine C45H73NO15 868.0588 867.498020671 2-{[3-hydroxy-2-(hydroxymethyl)-6-({10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁵,²³.0¹⁷,²²]tetracos-4-en-7-yl}oxy)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol α-solanine 20562-02-1 CC1C2CCC(C)CN2C2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C12)OC1OC(CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC1OC(C)C(O)C(O)C1O InChI=1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3 ZGVSETXHNHBTRK-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 Acetals Alkaloids and derivatives Azacyclic compounds Azasteroids and derivatives Delta-5-steroids Diterpene glycosides Diterpenoids Hydrocarbon derivatives Indolizidines N-alkylpyrrolidines O-glycosyl compounds Oligosaccharides Organopnictogen compounds Oxacyclic compounds Oxanes Piperidines Polyols Primary alcohols Secondary alcohols Solanidines and derivatives Trialkylamines Acetal Alcohol Aliphatic heteropolycyclic compound Alkaloid or derivatives Amine Azacycle Azasteroid Delta-5-steroid Diterpene glycoside Diterpenoid Glycosyl compound Hydrocarbon derivative Indolizidine N-alkylpyrrolidine O-glycosyl compound Oligosaccharide Organic nitrogen compound Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Oxane Piperidine Polyol Primary alcohol Pyrrolidine Secondary alcohol Solanidane skeleton Steroidal alkaloid Steroidal saponin Terpene glycoside Tertiary aliphatic amine Tertiary amine logp 1.29 ALOGPS logs -3.15 ALOGPS solubility 6.19e-01 g/l ALOGPS melting_point Mp 286° logp -0.43 ChemAxon pka_strongest_acidic 12.22 ChemAxon pka_strongest_basic 11.78 ChemAxon iupac 2-{[3-hydroxy-2-(hydroxymethyl)-6-({10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁵,²³.0¹⁷,²²]tetracos-4-en-7-yl}oxy)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 868.0588 ChemAxon mono_mass 867.498020671 ChemAxon smiles CC1C2CCC(C)CN2C2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C12)OC1OC(CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC1OC(C)C(O)C(O)C1O ChemAxon formula C45H73NO15 ChemAxon inchi InChI=1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3 ChemAxon inchikey ZGVSETXHNHBTRK-UHFFFAOYSA-N ChemAxon polar_surface_area 240.69 ChemAxon refractivity 216.55 ChemAxon polarizability 96.68 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 16 ChemAxon donor_count 9 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 124778 Specdb::NmrOneD 124779 Specdb::NmrOneD 124780 Specdb::NmrOneD 124781 Specdb::NmrOneD 124782 Specdb::NmrOneD 124783 Specdb::NmrOneD 124784 Specdb::NmrOneD 124785 Specdb::NmrOneD 124786 Specdb::NmrOneD 124787 Specdb::NmrOneD 124788 Specdb::NmrOneD 124789 Specdb::NmrOneD 124790 Specdb::NmrOneD 124791 Specdb::NmrOneD 124792 Specdb::NmrOneD 124793 Specdb::NmrOneD 124794 Specdb::NmrOneD 124795 Specdb::NmrOneD 124796 Specdb::NmrOneD 124797 Specdb::MsMs 10376 Specdb::MsMs 10377 Specdb::MsMs 10378 Specdb::MsMs 17048 Specdb::MsMs 17049 Specdb::MsMs 17050 Specdb::MsMs 2226491 Specdb::MsMs 2227108 Specdb::MsMs 2228212 Specdb::MsMs 2228862 Specdb::MsMs 2229475 Specdb::MsMs 2230591 Specdb::MsMs 2236521 Specdb::MsMs 2236652 Specdb::MsMs 2238652 Specdb::MsMs 2238768 Specdb::MsMs 2240651 Specdb::MsMs 2240781 Specdb::MsMs 2242682 Specdb::MsMs 2242804 Specdb::MsMs 2246897 Specdb::MsMs 2247036 Specdb::MsMs 2252506 Specdb::MsMs 2253076 Specdb::MsMs 2253405 HMDB34202 #<Reference:0x000055ce30550ce0> Alcoholic beverages Unknown generic Garden tomato (var.) Type 1 specific Solanum lycopersicum var. lycopersicum 397755 Potato Type 1 specific Solanum tuberosum 4113 Anti feedant 275 Anti neoplastic 465 A substance that inhibits or prevents the proliferation of neoplasms. Fungicide 940 A substance used to destroy fungal pests. Pesticide 1210 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.