1.0 2010-04-08 22:15:16 UTC 2025-11-19 02:33:55 UTC FDB020810 Capsicoside A2 Constituent of bell pepper (Capsicum annuum) roots. Capsicoside A2 is found in many foods, some of which are pepper (c. annuum), orange bell pepper, herbs and spices, and italian sweet red pepper. Capsicoside A2 C33H54O8 578.7771 578.381868704 2-(hydroxymethyl)-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]oxy}oxane-3,4,5-triol 2-(hydroxymethyl)-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]oxy}oxane-3,4,5-triol 35959-24-1 CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(O)C(O)C2O)OC11CCC(C)CO1 InChI=1S/C33H54O8/c1-17-7-12-33(38-16-17)18(2)26-24(41-33)14-23-21-6-5-19-13-20(8-10-31(19,3)22(21)9-11-32(23,26)4)39-30-29(37)28(36)27(35)25(15-34)40-30/h17-30,34-37H,5-16H2,1-4H3 ZNEIIZNXGCIAAL-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 Hydrocarbon derivatives Ketals Monosaccharides O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Spirostanes and derivatives Tetrahydrofurans Triterpenoids Acetal Alcohol Aliphatic heteropolycyclic compound Glycosyl compound Hydrocarbon derivative Ketal Monosaccharide O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Spirostane skeleton Steroidal saponin Tetrahydrofuran Triterpenoid a small molecule logp 2.79 ALOGPS logs -5.02 ALOGPS solubility 5.50e-03 g/l ALOGPS logp 3.56 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-(hydroxymethyl)-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]oxy}oxane-3,4,5-triol ChemAxon average_mass 578.7771 ChemAxon mono_mass 578.381868704 ChemAxon smiles CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(O)C(O)C2O)OC11CCC(C)CO1 ChemAxon formula C33H54O8 ChemAxon inchi InChI=1S/C33H54O8/c1-17-7-12-33(38-16-17)18(2)26-24(41-33)14-23-21-6-5-19-13-20(8-10-31(19,3)22(21)9-11-32(23,26)4)39-30-29(37)28(36)27(35)25(15-34)40-30/h17-30,34-37H,5-16H2,1-4H3 ChemAxon inchikey ZNEIIZNXGCIAAL-UHFFFAOYSA-N ChemAxon polar_surface_area 117.84 ChemAxon refractivity 151.83 ChemAxon polarizability 67.92 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 8 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 7838 Specdb::MsMs 7839 Specdb::MsMs 7840 Specdb::MsMs 14510 Specdb::MsMs 14511 Specdb::MsMs 14512 Specdb::MsMs 2755648 Specdb::MsMs 2755649 Specdb::MsMs 2755650 Specdb::MsMs 2952774 Specdb::MsMs 2952775 Specdb::MsMs 2952776 Specdb::CMs 25696 Specdb::CMs 41717 Specdb::CMs 282511 Specdb::CMs 390075 Specdb::CMs 390076 Specdb::CMs 390077 Specdb::CMs 390078 Specdb::CMs 390079 Specdb::CMs 390080 Specdb::CMs 390081 Specdb::CMs 390082 Specdb::CMs 390083 Specdb::CMs 390084 Specdb::CMs 390085 Specdb::CMs 390086 Specdb::CMs 390087 Specdb::CMs 390088 Specdb::CMs 390089 Specdb::CMs 390090 Specdb::CMs 390091 Specdb::CMs 390092 Specdb::CMs 390093 Specdb::CMs 390094 Specdb::CMs 390095 Specdb::CMs 390096 HMDB0030046 Fruits Unknown generic Green bell pepper Type 1 specific Capsicum annuum 4072 Herbs and Spices Unknown generic Italian sweet red pepper Type 1 specific Capsicum annuum 4072 Orange bell pepper Type 1 specific Capsicum annuum 4072 Pepper Type 1 specific Capsicum annuum 4072 Red bell pepper Type 1 specific Capsicum annuum 4072 Yellow bell pepper Type 1 specific Capsicum annuum 4072