Secondary metabolite: Fomitoside C Summary Molecular formula: C35H54O7
SMILES: CC(=CCC[C@H]([C@H]1CC[C@@]2([C@]1(C)CCC1=C2CC[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)C(=O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)C InChI: InChI=1S/C35H54O7/c1-20(2)9-8-10-21(30(40)42-31-29(39)28(38)25(36)19-41-31)22-13-17-35(7)24-11-12-26-32(3,4)27(37)15-16-33(26,5)23(24)14-18-34(22,35)6/h9,21-22,25-26,28-29,31,36,38-39H,8,10-19H2,1-7H3/t21-,22-,25-,26+,28+,29-,31+,33-,34-,35+/m1/s1 InChIKey: FTPANSKMWIDRLL-QDVPQEPLSA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Prenol lipids
Sub class: Triterpenoids
Synonymous chemical names: fomitoside c
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 586.81 Log P RDKit 5.65 Topological polar surface area (Å2 ) RDKit 113.29 Number of hydrogen bond acceptors RDKit 7 Number of hydrogen bond donors RDKit 3 Number of carbon atoms RDKit 35 Number of heavy atoms RDKit 42 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 0.29 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 6 Number of sp3 hybridized carbon atoms RDKit 29 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.83 Shape complexity RDKit 0.83 Number of rotatable bonds SwissADME 7 Number of aliphatic carbocycles RDKit 4 Number of aliphatic heterocycles RDKit 1 Number of aliphatic rings RDKit 5 Number of aromatic carbocycles RDKit 0 Number of aromatic heterocycles RDKit 0 Number of aromatic rings RDKit 0 Total number of rings RDKit 5 Number of saturated carbocycles RDKit 2 Number of saturated heterocycles RDKit 1 Number of saturated rings RDKit 3 Number of Smallest Set of Smallest Rings (SSSR) RDKit 5
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