Secondary metabolite: Termitomycesphin F Summary Molecular formula: C43H83NO10
SMILES: CCCCCCCCCCCCCCCC[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/C43H83NO10/c1-4-6-8-10-12-13-14-15-16-17-18-20-22-24-30-37(48)42(52)44-34(32-53-43-41(51)40(50)39(49)38(31-45)54-43)36(47)29-26-25-28-35(46)33(3)27-23-21-19-11-9-7-5-2/h26,29,33-41,43,45-51H,4-25,27-28,30-32H2,1-3H3,(H,44,52)/b29-26+/t33?,34-,35?,36+,37+,38+,39+,40-,41+,43+/m0/s1 InChIKey: BJMQARSMRDABQI-LOJLZSRWSA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Sphingolipids
Sub class: Glycosphingolipids
Synonymous chemical names: termitomycesphin f
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 774.13 Log P RDKit 6.36 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 43 Number of heavy atoms RDKit 54 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 0.23 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 3 Number of sp3 hybridized carbon atoms RDKit 40 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.93 Shape complexity RDKit 0.93 Number of rotatable bonds SwissADME 36 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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