Secondary metabolite: Lepiotaprocerin C Summary Molecular formula: C30H38O5
SMILES: CC1=C[C@]2(OC1=O)C[C@@H](C)[C@H]1[C@@H](O2)C[C@@]2([C@]1(C)C[C@@H]1C3=C2CC[C@@H]2[C@@]3(C(=CC(=O)C2(C)C)O1)C)C InChI: InChI=1S/C30H38O5/c1-15-11-30(12-16(2)25(32)35-30)34-19-14-27(5)17-8-9-20-26(3,4)21(31)10-22-29(20,7)24(17)18(33-22)13-28(27,6)23(15)19/h10,12,15,18-20,23H,8-9,11,13-14H2,1-7H3/t15-,18-,19+,20+,23+,27+,28-,29-,30-/m1/s1 InChIKey: WLZQKXJQTOONOM-YKDJOFNISA-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 c
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 478.63 Log P RDKit 5.65 Topological polar surface area (Å2 ) RDKit 61.83 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 9 Stereochemical complexity RDKit 0.3 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 8 Number of sp3 hybridized carbon atoms RDKit 22 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.73 Shape complexity RDKit 0.73 Number of rotatable bonds SwissADME 0 Number of aliphatic carbocycles RDKit 4 Number of aliphatic heterocycles RDKit 3 Number of aliphatic rings RDKit 7 Number of aromatic carbocycles RDKit 0 Number of aromatic heterocycles RDKit 0 Number of aromatic rings RDKit 0 Total number of rings RDKit 7 Number of saturated carbocycles RDKit 1 Number of saturated heterocycles RDKit 2 Number of saturated rings RDKit 3 Number of Smallest Set of Smallest Rings (SSSR) RDKit 7
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