Secondary metabolite: Fomitopsin G Summary Molecular formula: C34H50O7
SMILES: OC(=O)CC(=O)O[C@@H]1CC[C@]2(C(C1(C)C)CCC1=C2C[C@@H](O)[C@]2([C@@]1(C)CC[C@@H]2[C@@H](C[C@@H]1OC(=O)C(=C1C)C)C)C)C InChI: InChI=1S/C34H50O7/c1-18(15-24-19(2)20(3)30(39)40-24)21-11-14-33(7)22-9-10-25-31(4,5)27(41-29(38)17-28(36)37)12-13-32(25,6)23(22)16-26(35)34(21,33)8/h18,21,24-27,35H,9-17H2,1-8H3,(H,36,37)/t18-,21-,24+,25?,26-,27-,32-,33+,34+/m1/s1 InChIKey: FKAIFDOROOLHBN-YOXRDJAFSA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Steroids and steroid derivatives
Sub class: Steroid lactones
Synonymous chemical names: fomitopsin g
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 570.77 Log P RDKit 6.38 Topological polar surface area (Å2 ) RDKit 110.13 Number of hydrogen bond acceptors RDKit 6 Number of hydrogen bond donors RDKit 2 Number of carbon atoms RDKit 34 Number of heavy atoms RDKit 41 Number of heteroatoms RDKit 7 Number of nitrogen atoms RDKit 0 Number of sulfur atoms RDKit 0 Number of chiral carbon atoms RDKit 9 Stereochemical complexity RDKit 0.26 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 7 Number of sp3 hybridized carbon atoms RDKit 27 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.79 Shape complexity RDKit 0.79 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 0 Number of saturated rings RDKit 2 Number of Smallest Set of Smallest Rings (SSSR) RDKit 5
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