Secondary metabolite: Hypsiziprenol-C9 Summary Molecular formula: C45H82O5
SMILES: C=CC(CC/C=C(/CC/C=C(/CC/C=C(/CCCC(CCCC(CCCC(CCCC(CCC=C(C)C)(O)C)(O)C)(O)C)(O)C)C)C)C)(O)C InChI: InChI=1S/C45H82O5/c1-12-41(7,46)28-16-26-39(5)24-13-22-38(4)23-14-25-40(6)27-17-30-43(9,48)32-19-34-45(11,50)36-20-35-44(10,49)33-18-31-42(8,47)29-15-21-37(2)3/h12,21-22,25-26,46-50H,1,13-20,23-24,27-36H2,2-11H3/b38-22+,39-26+,40-25+ InChIKey: GPDSPOXDCDDXJY-KVWZZRTCSA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Prenol lipids
Sub class: Polyterpenoids
Synonymous chemical names: hypsiziprenol-c9
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 703.15 Log P RDKit 11.53 Topological polar surface area (Å2 ) RDKit 101.15 Number of hydrogen bond acceptors RDKit 5 Number of hydrogen bond donors RDKit 5 Number of carbon atoms RDKit 45 Number of heavy atoms RDKit 50 Number of heteroatoms RDKit 5 Number of nitrogen atoms RDKit 0 Number of sulfur atoms RDKit 0 Number of chiral carbon atoms RDKit 5 Stereochemical complexity RDKit 0.11 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 10 Number of sp3 hybridized carbon atoms RDKit 35 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.78 Shape complexity RDKit 0.78 Number of rotatable bonds SwissADME 29 Number of aliphatic carbocycles RDKit 0 Number of aliphatic heterocycles RDKit 0 Number of aliphatic rings RDKit 0 Number of aromatic carbocycles RDKit 0 Number of aromatic heterocycles RDKit 0 Number of aromatic rings RDKit 0 Total number of rings RDKit 0 Number of saturated carbocycles RDKit 0 Number of saturated heterocycles RDKit 0 Number of saturated rings RDKit 0 Number of Smallest Set of Smallest Rings (SSSR) RDKit 0
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