Secondary metabolite: Hypsiziprenol-B10 Summary Molecular formula: C50H94O7
SMILES: C=CC(CC/C=C(/CC/C=C(/CCCC(CCCC(CCCC(CCCC(CCCC(CCCC(CCC=C(C)C)(O)C)(O)C)(O)C)(O)C)(O)C)(O)C)C)C)(O)C InChI: InChI=1S/C50H94O7/c1-13-44(6,51)28-16-26-42(4)24-14-25-43(5)27-17-30-46(8,53)32-19-34-48(10,55)36-21-38-50(12,57)40-22-39-49(11,56)37-20-35-47(9,54)33-18-31-45(7,52)29-15-23-41(2)3/h13,23,25-26,51-57H,1,14-22,24,27-40H2,2-12H3/b42-26+,43-25+ InChIKey: PGKWOUQKDDYJEI-AUNPKQNBSA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Prenol lipids
Sub class: Polyterpenoids
Synonymous chemical names: hypsiziprenol-b10
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 807.29 Log P RDKit 11.65 Topological polar surface area (Å2 ) RDKit 141.61 Number of hydrogen bond acceptors RDKit 7 Number of hydrogen bond donors RDKit 7 Number of carbon atoms RDKit 50 Number of heavy atoms RDKit 57 Number of heteroatoms RDKit 7 Number of nitrogen atoms RDKit 0 Number of sulfur atoms RDKit 0 Number of chiral carbon atoms RDKit 7 Stereochemical complexity RDKit 0.14 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 8 Number of sp3 hybridized carbon atoms RDKit 42 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.84 Shape complexity RDKit 0.84 Number of rotatable bonds SwissADME 34 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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