Secondary metabolite: Lepiotaprocerin A Summary Molecular formula: C32H44O6
SMILES: CC(=O)O[C@H]1C[C@@]2([C@]([C@H]1[C@@H](CCC=C(C(=O)O)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/C32H44O6/c1-17(10-9-11-18(2)28(35)36)26-21(37-19(3)33)15-30(6)20-12-13-23-29(4,5)24(34)14-25-32(23,8)27(20)22(38-25)16-31(26,30)7/h11,14,17,21-23,26H,9-10,12-13,15-16H2,1-8H3,(H,35,36)/t17-,21+,22-,23+,26+,30+,31-,32-/m1/s1 InChIKey: RQMCCRUYISGPCT-GOTRNUGLSA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Prenol lipids
Sub class: Triterpenoids
Synonymous chemical names: lepiotaprocerin a
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 524.7 Log P RDKit 6.41 Topological polar surface area (Å2 ) RDKit 89.9 Number of hydrogen bond acceptors RDKit 5 Number of hydrogen bond donors RDKit 1 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 8 Stereochemical complexity RDKit 0.25 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 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 1 Number of saturated heterocycles RDKit 1 Number of saturated rings RDKit 2 Number of Smallest Set of Smallest Rings (SSSR) RDKit 5
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