Secondary metabolite: 7-O-methyl ganoderic acid O Summary Molecular formula: C37H56O9
SMILES: CO[C@@H]1CC2C(C)(C)[C@@H](CC[C@@]2(C2=C1[C@]1(C)[C@@H](OC(=O)C)C[C@@H]([C@]1(CC2)C)[C@@H]([C@@H](OC(=O)C)C/C=C(/C(=O)O)C)C)C)OC(=O)C InChI: InChI=1S/C37H56O9/c1-20(33(41)42)12-13-27(44-22(3)38)21(2)26-18-31(46-24(5)40)37(10)32-25(14-17-36(26,37)9)35(8)16-15-30(45-23(4)39)34(6,7)29(35)19-28(32)43-11/h12,21,26-31H,13-19H2,1-11H3,(H,41,42)/b20-12+/t21-,26+,27-,28+,29?,30+,31-,35+,36+,37-/m0/s1 InChIKey: GXKWNYCHKLAQPO-WMYGDPGJSA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Prenol lipids
Sub class: Triterpenoids
Synonymous chemical names: 7-o-methyl ganoderic acid o
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 644.85 Log P RDKit 6.82 Topological polar surface area (Å2 ) RDKit 125.43 Number of hydrogen bond acceptors RDKit 8 Number of hydrogen bond donors RDKit 1 Number of carbon atoms RDKit 37 Number of heavy atoms RDKit 46 Number of heteroatoms RDKit 9 Number of nitrogen atoms RDKit 0 Number of sulfur atoms RDKit 0 Number of chiral carbon atoms RDKit 10 Stereochemical complexity RDKit 0.27 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 8 Number of sp3 hybridized carbon atoms RDKit 29 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.78 Shape complexity RDKit 0.78 Number of rotatable bonds SwissADME 12 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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