Secondary metabolite: Ethyl ganoderate J Summary Molecular formula: C32H46O7
SMILES: CCOC(=O)C(CC(=O)CC(C1CC(C2(C1(C)CC(=O)C1=C2C(=O)CC2C1(C)CCC(=O)C2(C)C)C)O)C)C InChI: InChI=1S/C32H46O7/c1-9-39-28(38)18(3)13-19(33)12-17(2)20-14-25(37)32(8)27-21(34)15-23-29(4,5)24(36)10-11-30(23,6)26(27)22(35)16-31(20,32)7/h17-18,20,23,25,37H,9-16H2,1-8H3 InChIKey: MOGCKMACSLYDKK-UHFFFAOYSA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Prenol lipids
Sub class: Triterpenoids
Synonymous chemical names: ethyl ganoderate j
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 542.71 Log P RDKit 4.82 Topological polar surface area (Å2 ) RDKit 114.81 Number of hydrogen bond acceptors RDKit 7 Number of hydrogen bond donors RDKit 1 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 8 Stereochemical complexity RDKit 0.25 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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