Secondary metabolite: Lepiotaprocerin F Summary Molecular formula: C32H42O6
SMILES: CC(=O)O[C@H]1C[C@@]2([C@]([C@H]1[C@@H](C[C@@H]1C=C(C(=O)O1)C)C)(C)C[C@@H]1C3=C2CC[C@@H]2[C@]3(C)C(=CC(=O)C2(C)C)O1)C InChI: InChI=1S/C32H42O6/c1-16(11-19-12-17(2)28(35)37-19)26-21(36-18(3)33)14-30(6)20-9-10-23-29(4,5)24(34)13-25-32(23,8)27(20)22(38-25)15-31(26,30)7/h12-13,16,19,21-23,26H,9-11,14-15H2,1-8H3/t16-,19-,21+,22-,23+,26+,30+,31-,32-/m1/s1 InChIKey: NVPYGXLXWVWRLY-SWMXMBRNSA-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: lepiotaprocerin f
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 522.68 Log P RDKit 5.86 Topological polar surface area (Å2 ) RDKit 78.9 Number of hydrogen bond acceptors RDKit 6 Number of hydrogen bond donors RDKit 0 Number of carbon atoms RDKit 32 Number of heavy atoms RDKit 38 Number of heteroatoms RDKit 6 Number of nitrogen atoms RDKit 0 Number of sulfur atoms RDKit 0 Number of chiral carbon atoms RDKit 9 Stereochemical complexity RDKit 0.28 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 9 Number of sp3 hybridized carbon atoms RDKit 23 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.72 Shape complexity RDKit 0.72 Number of rotatable bonds SwissADME 5 Number of aliphatic carbocycles RDKit 4 Number of aliphatic heterocycles RDKit 2 Number of aliphatic rings RDKit 6 Number of aromatic carbocycles RDKit 0 Number of aromatic heterocycles RDKit 0 Number of aromatic rings RDKit 0 Total number of rings RDKit 6 Number of saturated carbocycles RDKit 1 Number of saturated heterocycles RDKit 1 Number of saturated rings RDKit 2 Number of Smallest Set of Smallest Rings (SSSR) RDKit 6
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