Secondary metabolite: Ganoderic acid MC Summary Molecular formula: C36H54O9
SMILES: CC(=O)OC1CC2C(C)(C)C(CCC2(C2=C1C1(C)C(O)CC(C1(CC2)C)C(C(OC(=O)C)C/C=C(/C(=O)O)C)C)C)OC(=O)C InChI: InChI=1S/C36H54O9/c1-19(32(41)42)11-12-26(43-21(3)37)20(2)25-17-29(40)36(10)31-24(13-16-35(25,36)9)34(8)15-14-30(45-23(5)39)33(6,7)28(34)18-27(31)44-22(4)38/h11,20,25-30,40H,12-18H2,1-10H3,(H,41,42)/b19-11+ InChIKey: GHQBLEWBYHWXAC-YBFXNURJSA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Prenol lipids
Sub class: Triterpenoids
Synonymous chemical names: ganoderic acid mc
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 630.82 Log P RDKit 6.17 Topological polar surface area (Å2 ) RDKit 136.43 Number of hydrogen bond acceptors RDKit 8 Number of hydrogen bond donors RDKit 2 Number of carbon atoms RDKit 36 Number of heavy atoms RDKit 45 Number of heteroatoms RDKit 9 Number of nitrogen atoms RDKit 0 Number of sulfur atoms RDKit 0 Number of chiral carbon atoms RDKit 10 Stereochemical complexity RDKit 0.28 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 8 Number of sp3 hybridized carbon atoms RDKit 28 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.78 Shape complexity RDKit 0.78 Number of rotatable bonds SwissADME 11 Number of aliphatic carbocycles RDKit 4 Number of aliphatic heterocycles RDKit 0 Number of aliphatic rings RDKit 4 Number of aromatic carbocycles RDKit 0 Number of aromatic heterocycles RDKit 0 Number of aromatic rings RDKit 0 Total number of rings RDKit 4 Number of saturated carbocycles RDKit 2 Number of saturated heterocycles RDKit 0 Number of saturated rings RDKit 2 Number of Smallest Set of Smallest Rings (SSSR) RDKit 4
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