Secondary metabolite: Lepiotaprocerin G Summary Molecular formula: C30H38O5
SMILES: CC1=C[C@@]2(OC1=O)O[C@H]1C[C@@]3([C@]([C@H]1[C@@H](C2)C)(C)CC(=O)C1=C3CC[C@@H]2[C@]1(C)C=CC(=O)C2(C)C)C InChI: InChI=1S/C30H38O5/c1-16-12-30(13-17(2)25(33)35-30)34-20-15-28(6)18-8-9-21-26(3,4)22(32)10-11-27(21,5)24(18)19(31)14-29(28,7)23(16)20/h10-11,13,16,20-21,23H,8-9,12,14-15H2,1-7H3/t16-,20+,21+,23+,27+,28+,29-,30-/m1/s1 InChIKey: LHCUTNFOYPPTFQ-ZIGGBWKSSA-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 g
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 478.63 Log P RDKit 5.49 Topological polar surface area (Å2 ) RDKit 69.67 Number of hydrogen bond acceptors RDKit 5 Number of hydrogen bond donors RDKit 0 Number of carbon atoms RDKit 30 Number of heavy atoms RDKit 35 Number of heteroatoms RDKit 5 Number of nitrogen atoms RDKit 0 Number of sulfur atoms RDKit 0 Number of chiral carbon atoms RDKit 8 Stereochemical complexity RDKit 0.27 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 9 Number of sp3 hybridized carbon atoms RDKit 21 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.7 Shape complexity RDKit 0.7 Number of rotatable bonds SwissADME 0 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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