1.0 2010-04-08 22:10:02 UTC 2025-11-18 23:34:37 UTC FDB012181 Cyclosquamosin D Constituent of the seeds of Annona squamosa (sugar apple). Cyclosquamosin D is found in fruits. C41H56N8O11 836.944 836.406854655 15-(hydroxymethyl)-18,21-bis[(4-hydroxyphenyl)methyl]-12-(2-methylpropyl)-9-(propan-2-yl)-hexacosahydropyrrolo[1,2-a]1,4,7,10,13,16,19,22-octaazacyclotetracosan-1,4,7,10,13,16,19,22-octone 15-(hydroxymethyl)-18,21-bis[(4-hydroxyphenyl)methyl]-9-isopropyl-12-(2-methylpropyl)-octadecahydropyrrolo[1,2-a]1,4,7,10,13,16,19,22-octaazacyclotetracosan-1,4,7,10,13,16,19,22-octone CC(C)CC1NC(=O)C(NC(=O)CNC(=O)CNC(=O)C2CCCN2C(=O)C(CC2=CC=C(O)C=C2)NC(=O)C(CC2=CC=C(O)C=C2)NC(=O)C(CO)NC1=O)C(C)C InChI=1S/C41H56N8O11/c1-22(2)16-28-36(55)47-31(21-50)38(57)44-29(17-24-7-11-26(51)12-8-24)37(56)46-30(18-25-9-13-27(52)14-10-25)41(60)49-15-5-6-32(49)39(58)43-19-33(53)42-20-34(54)48-35(23(3)4)40(59)45-28/h7-14,22-23,28-32,35,50-52H,5-6,15-21H2,1-4H3,(H,42,53)(H,43,58)(H,44,57)(H,45,59)(H,46,56)(H,47,55)(H,48,54) ZHNAXZUOHRJIJT-UHFFFAOYSA-N belongs to the class of organic compounds known as cyclic peptides. Cyclic peptides are compounds containing a cyclic moiety bearing a peptide backbone. Cyclic peptides Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alpha amino acids and derivatives Azacyclic compounds Benzene and substituted derivatives Carbonyl compounds Cyclic carboximidic acids Hydrocarbon derivatives Lactams Organic oxides Organonitrogen compounds Organopnictogen compounds Polyols Primary alcohols Propargyl-type 1,3-dipolar organic compounds Pyrrolidines Tertiary carboxylic acid amides 1-hydroxy-2-unsubstituted benzenoid Alcohol Alpha-amino acid or derivatives Aromatic heteropolycyclic compound Azacycle Benzenoid Carbonyl group Carboxamide group Cyclic alpha peptide Cyclic carboximidic acid Hydrocarbon derivative Lactam Monocyclic benzene moiety Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol Polyol Primary alcohol Propargyl-type 1,3-dipolar organic compound Pyrrolidine Tertiary carboxylic acid amide logp 0.47 ALOGPS logs -3.73 ALOGPS solubility 1.56e-01 g/l ALOGPS logp -1.4 ChemAxon pka_strongest_acidic 9.2 ChemAxon pka_strongest_basic -6 ChemAxon iupac 15-(hydroxymethyl)-18,21-bis[(4-hydroxyphenyl)methyl]-12-(2-methylpropyl)-9-(propan-2-yl)-hexacosahydropyrrolo[1,2-a]1,4,7,10,13,16,19,22-octaazacyclotetracosan-1,4,7,10,13,16,19,22-octone ChemAxon average_mass 836.944 ChemAxon mono_mass 836.406854655 ChemAxon smiles CC(C)CC1NC(=O)C(NC(=O)CNC(=O)CNC(=O)C2CCCN2C(=O)C(CC2=CC=C(O)C=C2)NC(=O)C(CC2=CC=C(O)C=C2)NC(=O)C(CO)NC1=O)C(C)C ChemAxon formula C41H56N8O11 ChemAxon inchi InChI=1S/C41H56N8O11/c1-22(2)16-28-36(55)47-31(21-50)38(57)44-29(17-24-7-11-26(51)12-8-24)37(56)46-30(18-25-9-13-27(52)14-10-25)41(60)49-15-5-6-32(49)39(58)43-19-33(53)42-20-34(54)48-35(23(3)4)40(59)45-28/h7-14,22-23,28-32,35,50-52H,5-6,15-21H2,1-4H3,(H,42,53)(H,43,58)(H,44,57)(H,45,59)(H,46,56)(H,47,55)(H,48,54) ChemAxon inchikey ZHNAXZUOHRJIJT-UHFFFAOYSA-N ChemAxon polar_surface_area 284.7 ChemAxon refractivity 214.49 ChemAxon polarizability 85.98 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 11 ChemAxon donor_count 10 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 93192 Specdb::MsMs 93193 Specdb::MsMs 93194 Specdb::MsMs 156921 Specdb::MsMs 156922 Specdb::MsMs 156923 Specdb::MsMs 3605326 Specdb::MsMs 3605327 Specdb::MsMs 3605328 Specdb::MsMs 3605329 Specdb::MsMs 3605330 Specdb::MsMs 3605331 Fruits Unknown generic