Secondary metabolite: Ganodermic acid S Summary Molecular formula: C34H50O6
SMILES: CC(=O)O[C@H]1C[C@@H]([C@@]2([C@]1(C)C1=CCC3[C@](C1=CC2)(C)CC[C@@H](C3(C)C)OC(=O)C)C)[C@@H](CC/C=C(/C(=O)O)C)C InChI: InChI=1S/C34H50O6/c1-20(11-10-12-21(2)30(37)38)26-19-29(40-23(4)36)34(9)25-13-14-27-31(5,6)28(39-22(3)35)16-17-32(27,7)24(25)15-18-33(26,34)8/h12-13,15,20,26-29H,10-11,14,16-19H2,1-9H3,(H,37,38)/b21-12+/t20-,26-,27?,28+,29+,32-,33-,34-/m1/s1 InChIKey: OTUZGGSAOMCYNC-FHWYVJHPSA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Prenol lipids
Sub class: Triterpenoids
Synonymous chemical names: ganodermic acid s
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 554.77 Log P RDKit 7.43 Topological polar surface area (Å2 ) RDKit 89.9 Number of hydrogen bond acceptors RDKit 5 Number of hydrogen bond donors RDKit 1 Number of carbon atoms RDKit 34 Number of heavy atoms RDKit 40 Number of heteroatoms RDKit 6 Number of nitrogen atoms RDKit 0 Number of sulfur atoms RDKit 0 Number of chiral carbon atoms RDKit 8 Stereochemical complexity RDKit 0.24 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 9 Number of sp3 hybridized carbon atoms RDKit 25 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.74 Shape complexity RDKit 0.74 Number of rotatable bonds SwissADME 9 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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