Secondary metabolite: Hypsiziprenol-A8 Summary Molecular formula: C40H76O6
SMILES: C=CC(CC/C=C(/CCCC(CCCC(CCCC(CCCC(CCCC(CCC=C(C)C)(O)C)(O)C)(O)C)(O)C)(O)C)C)(O)C InChI: InChI=1S/C40H76O6/c1-11-35(5,41)22-13-20-34(4)21-14-24-37(7,43)26-16-28-39(9,45)30-18-32-40(10,46)31-17-29-38(8,44)27-15-25-36(6,42)23-12-19-33(2)3/h11,19-20,41-46H,1,12-18,21-32H2,2-10H3/b34-20+ InChIKey: AAIHXVINAOBFQY-QXUDOOCXSA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Prenol lipids
Sub class: Sesterterpenoids
Synonymous chemical names: hypsiziprenol-a8
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 653.04 Log P RDKit 9 Topological polar surface area (Å2 ) RDKit 121.38 Number of hydrogen bond acceptors RDKit 6 Number of hydrogen bond donors RDKit 6 Number of carbon atoms RDKit 40 Number of heavy atoms RDKit 46 Number of heteroatoms RDKit 6 Number of nitrogen atoms RDKit 0 Number of sulfur atoms RDKit 0 Number of chiral carbon atoms RDKit 6 Stereochemical complexity RDKit 0.15 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 6 Number of sp3 hybridized carbon atoms RDKit 34 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.85 Shape complexity RDKit 0.85 Number of rotatable bonds SwissADME 27 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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