Secondary metabolite: Termitomycesphin E Summary Molecular formula: C41H79NO10
SMILES: CCCCCCCCCCCCCC[C@H](C(=O)N[C@H]([C@@H](/C=C/CCC(C(CCCCCCCCC)C)O)O)CO[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O InChI: InChI=1S/C41H79NO10/c1-4-6-8-10-12-13-14-15-16-18-20-22-28-35(46)40(50)42-32(30-51-41-39(49)38(48)37(47)36(29-43)52-41)34(45)27-24-23-26-33(44)31(3)25-21-19-17-11-9-7-5-2/h24,27,31-39,41,43-49H,4-23,25-26,28-30H2,1-3H3,(H,42,50)/b27-24+/t31?,32-,33?,34+,35+,36+,37+,38-,39+,41+/m0/s1 InChIKey: XDZZMBPLVSZPPN-KQYYMOEVSA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Sphingolipids
Sub class: Glycosphingolipids
Synonymous chemical names: termitomycesphin e
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 746.08 Log P RDKit 5.57 Topological polar surface area (Å2 ) RDKit 189.17 Number of hydrogen bond acceptors RDKit 10 Number of hydrogen bond donors RDKit 8 Number of carbon atoms RDKit 41 Number of heavy atoms RDKit 52 Number of heteroatoms RDKit 11 Number of nitrogen atoms RDKit 1 Number of sulfur atoms RDKit 0 Number of chiral carbon atoms RDKit 10 Stereochemical complexity RDKit 0.24 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 3 Number of sp3 hybridized carbon atoms RDKit 38 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.93 Shape complexity RDKit 0.93 Number of rotatable bonds SwissADME 34 Number of aliphatic carbocycles RDKit 0 Number of aliphatic heterocycles RDKit 1 Number of aliphatic rings RDKit 1 Number of aromatic carbocycles RDKit 0 Number of aromatic heterocycles RDKit 0 Number of aromatic rings RDKit 0 Total number of rings RDKit 1 Number of saturated carbocycles RDKit 0 Number of saturated heterocycles RDKit 1 Number of saturated rings RDKit 1 Number of Smallest Set of Smallest Rings (SSSR) RDKit 1
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