Secondary metabolite: Fomitoside E Summary Molecular formula: C37H58O9
SMILES: CC(=O)O[C@@H]1CC[C@]2([C@H](C1(C)C)CCC1=C2CC[C@]2([C@@]1(C)CC[C@@H]2[C@H](C(=O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)C/C=C/C(O)(C)C)C)C InChI: InChI=1S/C37H58O9/c1-21(38)45-28-15-17-35(6)24-14-19-36(7)23(13-18-37(36,8)25(24)11-12-27(35)34(28,4)5)22(10-9-16-33(2,3)43)31(42)46-32-30(41)29(40)26(39)20-44-32/h9,16,22-23,26-30,32,39-41,43H,10-15,17-20H2,1-8H3/b16-9+/t22-,23-,26-,27+,28-,29+,30-,32+,35-,36-,37+/m1/s1 InChIKey: SZJHDEBBAHZWAS-JYUDEBFNSA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Prenol lipids
Sub class: Triterpenoids
Synonymous chemical names: fomitoside e
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 646.86 Log P RDKit 4.98 Topological polar surface area (Å2 ) RDKit 142.75 Number of hydrogen bond acceptors RDKit 9 Number of hydrogen bond donors RDKit 4 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 11 Stereochemical complexity RDKit 0.3 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 6 Number of sp3 hybridized carbon atoms RDKit 31 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.84 Shape complexity RDKit 0.84 Number of rotatable bonds SwissADME 9 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
TOP 
