Secondary metabolite: Lepiotaprocerin B Summary Molecular formula: C33H46O6
SMILES: COC(=O)C(=CCC[C@H]([C@H]1[C@@H](OC(=O)C)C[C@@]2([C@]1(C)C[C@H]1OC3=CC(=O)C([C@H]4[C@]3(C1=C2CC4)C)(C)C)C)C)C InChI: InChI=1S/C33H46O6/c1-18(11-10-12-19(2)29(36)37-9)27-22(38-20(3)34)16-31(6)21-13-14-24-30(4,5)25(35)15-26-33(24,8)28(21)23(39-26)17-32(27,31)7/h12,15,18,22-24,27H,10-11,13-14,16-17H2,1-9H3/t18-,22+,23-,24+,27+,31+,32-,33-/m1/s1 InChIKey: YVYRIGJMVOARJL-HRMWDLTLSA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Prenol lipids
Sub class: Triterpenoids
Synonymous chemical names: lepiotaprocerin b
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 538.73 Log P RDKit 6.49 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 33 Number of heavy atoms RDKit 39 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 0.24 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 9 Number of sp3 hybridized carbon atoms RDKit 24 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.73 Shape complexity RDKit 0.73 Number of rotatable bonds SwissADME 8 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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