Secondary metabolite: Ganoderic acid AP Summary Molecular formula: C30H44O9
SMILES: O=C(C[C@](C1C[C@@H]([C@@]2([C@]1(C)[C@H](O)C(=O)C1C2C(=O)CC2[C@]1(C)CCC(=O)C2(C)C)C)O)(O)C)CC(C(=O)O)C InChI: InChI=1S/C30H44O9/c1-14(25(37)38)10-15(31)13-28(5,39)18-12-20(34)30(7)21-16(32)11-17-26(2,3)19(33)8-9-27(17,4)22(21)23(35)24(36)29(18,30)6/h14,17-18,20-22,24,34,36,39H,8-13H2,1-7H3,(H,37,38)/t14?,17?,18?,20-,21?,22?,24+,27-,28+,29-,30-/m0/s1 InChIKey: HEDKQFAXFNTNNM-FNLHEPCSSA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Prenol lipids
Sub class: Triterpenoids
Synonymous chemical names: ganoderic acid ap
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 548.67 Log P RDKit 2.36 Topological polar surface area (Å2 ) RDKit 166.27 Number of hydrogen bond acceptors RDKit 8 Number of hydrogen bond donors RDKit 4 Number of carbon atoms RDKit 30 Number of heavy atoms RDKit 39 Number of heteroatoms RDKit 9 Number of nitrogen atoms RDKit 0 Number of sulfur atoms RDKit 0 Number of chiral carbon atoms RDKit 11 Stereochemical complexity RDKit 0.37 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 5 Number of sp3 hybridized carbon atoms RDKit 25 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.83 Shape complexity RDKit 0.83 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 4 Number of saturated heterocycles RDKit 0 Number of saturated rings RDKit 4 Number of Smallest Set of Smallest Rings (SSSR) RDKit 4
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