Secondary metabolite: Ganorbiformin F Summary Molecular formula: C33H50O6
SMILES: CO[C@@H]1C[C@@H]2[C@](C3=C1[C@]1(C)CC[C@@H]([C@]1(CC3)C)[C@@H]([C@@H](OC(=O)C)C/C=C(/C(=O)O)C)C)(C)CCC(=O)C2(C)C InChI: InChI=1S/C33H50O6/c1-19(29(36)37)10-11-24(39-21(3)34)20(2)22-12-17-33(8)28-23(13-16-32(22,33)7)31(6)15-14-27(35)30(4,5)26(31)18-25(28)38-9/h10,20,22,24-26H,11-18H2,1-9H3,(H,36,37)/b19-10+/t20-,22+,24-,25+,26-,31+,32+,33-/m0/s1 InChIKey: LKKZTONQXUTYEZ-ZYDUTVPZSA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Prenol lipids
Sub class: Triterpenoids
Synonymous chemical names: ganorbiformin f
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 542.76 Log P RDKit 6.92 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 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 7 Number of sp3 hybridized carbon atoms RDKit 26 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.79 Shape complexity RDKit 0.79 Number of rotatable bonds SwissADME 8 Number of aliphatic carbocycles RDKit 4 Number of aliphatic heterocycles RDKit 0 Number of aliphatic rings RDKit 4 Number of aromatic carbocycles RDKit 0 Number of aromatic heterocycles RDKit 0 Number of aromatic rings RDKit 0 Total number of rings RDKit 4 Number of saturated carbocycles RDKit 2 Number of saturated heterocycles RDKit 0 Number of saturated rings RDKit 2 Number of Smallest Set of Smallest Rings (SSSR) RDKit 4
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