1.0 2010-04-08 22:09:50 UTC 2019-11-26 03:05:27 UTC FDB011805 gamma-Solanine Alkaloid from potato subspecies (Solanum tuberosum and Solanum chacoense). gamma-Solanine is found in alcoholic beverages and potato. beta-D-Galactopyranoside, (3beta)-solanid-5-en-3-yl g-Solanine gamma-Solanine C33H53NO6 559.777 559.387288433 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)oxane-3,4,5-triol 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)oxane-3,4,5-triol 511-36-4 CC1C2CCC(C)CN2C2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C12)OC1OC(CO)C(O)C(O)C1O InChI=1S/C33H53NO6/c1-17-5-8-24-18(2)27-25(34(24)15-17)14-23-21-7-6-19-13-20(9-11-32(19,3)22(21)10-12-33(23,27)4)39-31-30(38)29(37)28(36)26(16-35)40-31/h6,17-18,20-31,35-38H,5,7-16H2,1-4H3 IDGKMGZVTKHZDA-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 Hexoses Hydrocarbon derivatives Indolizidines N-alkylpyrrolidines O-glycosyl compounds 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 Hexose monosaccharide Hydrocarbon derivative Indolizidine Monosaccharide N-alkylpyrrolidine O-glycosyl compound 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 2.96 ALOGPS logs -4.44 ALOGPS solubility 2.05e-02 g/l ALOGPS melting_point Mp ca. 250° logp 2.3 ChemAxon pka_strongest_acidic 12.59 ChemAxon pka_strongest_basic 12.02 ChemAxon iupac 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)oxane-3,4,5-triol ChemAxon average_mass 559.777 ChemAxon mono_mass 559.387288433 ChemAxon smiles CC1C2CCC(C)CN2C2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C12)OC1OC(CO)C(O)C(O)C1O ChemAxon formula C33H53NO6 ChemAxon inchi InChI=1S/C33H53NO6/c1-17-5-8-24-18(2)27-25(34(24)15-17)14-23-21-7-6-19-13-20(9-11-32(19,3)22(21)10-12-33(23,27)4)39-31-30(38)29(37)28(36)26(16-35)40-31/h6,17-18,20-31,35-38H,5,7-16H2,1-4H3 ChemAxon inchikey IDGKMGZVTKHZDA-UHFFFAOYSA-N ChemAxon polar_surface_area 102.62 ChemAxon refractivity 153.27 ChemAxon polarizability 65.99 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 64779 Specdb::MsMs 64780 Specdb::MsMs 64781 Specdb::MsMs 122025 Specdb::MsMs 122026 Specdb::MsMs 122027 Specdb::MsMs 2452120 Specdb::MsMs 2452121 Specdb::MsMs 2452122 Specdb::MsMs 2483248 Specdb::MsMs 2483249 Specdb::MsMs 2483250 Specdb::CMs 19310 Specdb::CMs 43435 Specdb::CMs 281970 Specdb::CMs 343615 Specdb::CMs 343616 Specdb::CMs 343617 Specdb::CMs 343618 Specdb::CMs 343619 Specdb::CMs 343620 Specdb::CMs 343621 Specdb::CMs 343622 Specdb::CMs 343623 Specdb::CMs 343624 Specdb::CMs 343625 Specdb::CMs 343626 Specdb::CMs 343627 Specdb::CMs 343628 Specdb::CMs 343629 Specdb::CMs 343630 Specdb::CMs 343631 Specdb::CMs 343632 Specdb::CMs 343633 Specdb::CMs 343634 Specdb::CMs 343635 Specdb::CMs 343636 HMDB33678 #<Reference:0x000055ce3274e720> Alcoholic beverages Unknown generic Potato Type 1 specific Solanum tuberosum 4113