Secondary metabolite: Hypsiziprenol-B8 Summary Molecular formula: C40H74O5
SMILES: C=CC(CC/C=C(/CC/C=C(/CCCC(CCCC(CCCC(CCCC(CCC=C(C)C)(O)C)(O)C)(O)C)(O)C)C)C)(O)C InChI: InChI=1S/C40H74O5/c1-11-36(6,41)24-14-22-34(4)20-12-21-35(5)23-15-26-38(8,43)28-17-30-40(10,45)32-18-31-39(9,44)29-16-27-37(7,42)25-13-19-33(2)3/h11,19,21-22,41-45H,1,12-18,20,23-32H2,2-10H3/b34-22+,35-21+ InChIKey: ORYNVBPFPAKQFS-NNCPTUNHSA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Prenol lipids
Sub class: Sesterterpenoids
Synonymous chemical names: hypsiziprenol-b8
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 635.03 Log P RDKit 9.81 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 40 Number of heavy atoms RDKit 45 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 0.12 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 8 Number of sp3 hybridized carbon atoms RDKit 32 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.8 Shape complexity RDKit 0.8 Number of rotatable bonds SwissADME 26 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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