Secondary metabolite: Ganoderesin A Summary Molecular formula: C32H48O7
SMILES: COC(=O)C(CC(=O)C[C@H](C1=CC([C@@]2([C@]1(C)CC(=O)[C@]1([C@H]2C(=O)CC2[C@]1(C)CC[C@@H](C2(C)C)O)C)C)O)C)C InChI: InChI=1S/C32H48O7/c1-17(12-19(33)13-18(2)27(38)39-9)20-14-24(36)31(7)26-21(34)15-22-28(3,4)23(35)10-11-29(22,5)32(26,8)25(37)16-30(20,31)6/h14,17-18,22-24,26,35-36H,10-13,15-16H2,1-9H3/t17-,18?,22?,23+,24?,26+,29+,30-,31+,32+/m1/s1 InChIKey: AWMCKYXMSZUHOQ-MVOKSBGWSA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Prenol lipids
Sub class: Triterpenoids
Synonymous chemical names: ganoderesin a
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 544.73 Log P RDKit 4.47 Topological polar surface area (Å2 ) RDKit 117.97 Number of hydrogen bond acceptors RDKit 7 Number of hydrogen bond donors RDKit 2 Number of carbon atoms RDKit 32 Number of heavy atoms RDKit 39 Number of heteroatoms RDKit 7 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 6 Number of sp3 hybridized carbon atoms RDKit 26 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.81 Shape complexity RDKit 0.81 Number of rotatable bonds SwissADME 7 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 3 Number of saturated heterocycles RDKit 0 Number of saturated rings RDKit 3 Number of Smallest Set of Smallest Rings (SSSR) RDKit 4
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