Secondary metabolite: Fomitopsin H Summary Molecular formula: C35H54O7S
SMILES: OC(=O)CC(=O)S[C@H]1CC[C@]2([C@H](C1(C)C)CCC1=C2C[C@@H](O)[C@]23[C@@]1(C)CC[C@@H]3[C@H](C)CC[C@H]([C@@H](C(=O)OCOC2)C)C)C InChI: InChI=1S/C35H54O7S/c1-20-8-9-21(2)23-12-15-34(7)24-10-11-26-32(4,5)28(43-30(39)17-29(37)38)13-14-33(26,6)25(24)16-27(36)35(23,34)18-41-19-42-31(40)22(20)3/h20-23,26-28,36H,8-19H2,1-7H3,(H,37,38)/t20-,21-,22+,23-,26+,27-,28+,33-,34+,35+/m1/s1 InChIKey: AVXGLCBTISPOCS-ZRWGVIKISA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Prenol lipids
Sub class: Triterpenoids
Synonymous chemical names: fomitopsin h
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 618.88 Log P RDKit 7.01 Topological polar surface area (Å2 ) RDKit 110.13 Number of hydrogen bond acceptors RDKit 7 Number of hydrogen bond donors RDKit 2 Number of carbon atoms RDKit 35 Number of heavy atoms RDKit 43 Number of heteroatoms RDKit 8 Number of nitrogen atoms RDKit 0 Number of sulfur atoms RDKit 1 Number of chiral carbon atoms RDKit 10 Stereochemical complexity RDKit 0.29 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 5 Number of sp3 hybridized carbon atoms RDKit 30 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.86 Shape complexity RDKit 0.86 Number of rotatable bonds SwissADME 4 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 2 Number of saturated heterocycles RDKit 1 Number of saturated rings RDKit 3 Number of Smallest Set of Smallest Rings (SSSR) RDKit 5
TOP