Secondary metabolite: Ganoderic acid K Summary Molecular formula: C32H46O9
SMILES: O=C(CC(C(=O)O)C)CC(C1CC(=O)C2(C1(C)C(OC(=O)C)C(=O)C1=C2C(O)CC2C1(C)CCC(C2(C)C)O)C)C InChI: InChI=1S/C32H46O9/c1-15(11-18(34)12-16(2)28(39)40)19-13-23(37)32(8)24-20(35)14-21-29(4,5)22(36)9-10-30(21,6)25(24)26(38)27(31(19,32)7)41-17(3)33/h15-16,19-22,27,35-36H,9-14H2,1-8H3,(H,39,40) InChIKey: OEHYQHPDUCRLMW-UHFFFAOYSA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Prenol lipids
Sub class: Triterpenoids
Synonymous chemical names: ganoderic acid k
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 574.71 Log P RDKit 3.67 Topological polar surface area (Å2 ) RDKit 155.27 Number of hydrogen bond acceptors RDKit 8 Number of hydrogen bond donors RDKit 3 Number of carbon atoms RDKit 32 Number of heavy atoms RDKit 41 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 0.31 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 7 Number of sp3 hybridized carbon atoms RDKit 25 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.78 Shape complexity RDKit 0.78 Number of rotatable bonds SwissADME 8 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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