Secondary metabolite: Methyl ganoderate C Summary Molecular formula: C31H44O7
SMILES: COC(=O)[C@@H](CC(=O)C[C@H]([C@H]1CC(=O)[C@@]2([C@]1(C)CC(=O)C1=C2[C@@H](O)C[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)C)C InChI: InChI=1S/C31H44O7/c1-16(11-18(32)12-17(2)27(37)38-8)19-13-24(36)31(7)26-20(33)14-22-28(3,4)23(35)9-10-29(22,5)25(26)21(34)15-30(19,31)6/h16-17,19-20,22,33H,9-15H2,1-8H3/t16-,17-,19-,20+,22+,29+,30-,31+/m1/s1 InChIKey: UVKCTPQUWRXRPX-AFQIALMBSA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Prenol lipids
Sub class: Triterpenoids
Synonymous chemical names: methyl ganoderate c, methyl ganoderate d
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 528.69 Log P RDKit 4.43 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 31 Number of heavy atoms RDKit 38 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 0.26 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 7 Number of sp3 hybridized carbon atoms RDKit 24 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.77 Shape complexity RDKit 0.77 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 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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