Secondary metabolite: Ganoderic acid σ Summary Molecular formula: C30H44O7
SMILES: OC[C@]1(C)C(=O)CC[C@]2([C@H]1CCC1=C2C(=O)C[C@]2([C@@]1(C)[C@@H](O)C[C@@H]2[C@](CC/C=C(/C(=O)O)C)(O)C)C)C InChI: InChI=1S/C30H44O7/c1-17(25(35)36)8-7-12-29(5,37)21-14-23(34)30(6)18-9-10-20-26(2,13-11-22(33)27(20,3)16-31)24(18)19(32)15-28(21,30)4/h8,20-21,23,31,34,37H,7,9-16H2,1-6H3,(H,35,36)/b17-8+/t20-,21+,23+,26+,27+,28-,29+,30-/m1/s1 InChIKey: SKTWPLRWZJQPGR-RGXBIGDESA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Prenol lipids
Sub class: Triterpenoids
Synonymous chemical names: ganoderic acid σ
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 516.67 Log P RDKit 3.99 Topological polar surface area (Å2 ) RDKit 132.13 Number of hydrogen bond acceptors RDKit 6 Number of hydrogen bond donors RDKit 4 Number of carbon atoms RDKit 30 Number of heavy atoms RDKit 37 Number of heteroatoms RDKit 7 Number of nitrogen atoms RDKit 0 Number of sulfur atoms RDKit 0 Number of chiral carbon atoms RDKit 8 Stereochemical complexity RDKit 0.27 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 7 Number of sp3 hybridized carbon atoms RDKit 23 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.77 Shape complexity RDKit 0.77 Number of rotatable bonds SwissADME 6 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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