Secondary metabolite: Hypsiziprenol-A11 Summary Molecular formula: C55H106O9
SMILES: C=CC(CC/C=C(/CCCC(CCCC(CCCC(CCCC(CCCC(CCCC(CCCC(CCCC(CCC=C(C)C)(O)C)(O)C)(O)C)(O)C)(O)C)(O)C)(O)C)(O)C)C)(O)C InChI: InChI=1S/C55H106O9/c1-14-47(5,56)28-16-26-46(4)27-17-30-49(7,58)32-19-34-51(9,60)36-21-38-53(11,62)40-23-42-55(13,64)44-24-43-54(12,63)41-22-39-52(10,61)37-20-35-50(8,59)33-18-31-48(6,57)29-15-25-45(2)3/h14,25-26,56-64H,1,15-24,27-44H2,2-13H3/b46-26+ InChIKey: FAJPFZFWNVGGLQ-WUWMGIGGSA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Prenol lipids
Sub class: Polyterpenoids
Synonymous chemical names: hypsiziprenol-a11
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 911.44 Log P RDKit 11.77 Topological polar surface area (Å2 ) RDKit 182.07 Number of hydrogen bond acceptors RDKit 9 Number of hydrogen bond donors RDKit 9 Number of carbon atoms RDKit 55 Number of heavy atoms RDKit 64 Number of heteroatoms RDKit 9 Number of nitrogen atoms RDKit 0 Number of sulfur atoms RDKit 0 Number of chiral carbon atoms RDKit 9 Stereochemical complexity RDKit 0.16 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 6 Number of sp3 hybridized carbon atoms RDKit 49 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.89 Shape complexity RDKit 0.89 Number of rotatable bonds SwissADME 39 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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