Secondary metabolite: Ganodercochlearin C Summary Molecular formula: C32H52O2
SMILES: COC(C=C[C@@H]([C@H]([C@H]1CC[C@@]2([C@]1(C)CC=C1C2=CCC2[C@]1(C)CC[C@@H](C2(C)C)O)C)C)C)(C)C InChI: InChI=1S/C32H52O2/c1-21(13-17-28(3,4)34-10)22(2)23-14-19-32(9)25-11-12-26-29(5,6)27(33)16-18-30(26,7)24(25)15-20-31(23,32)8/h11,13,15,17,21-23,26-27,33H,12,14,16,18-20H2,1-10H3/t21-,22+,23+,26?,27-,30+,31+,32-/m0/s1 InChIKey: VNZZSZLDWOZUTF-ZAYMEUNYSA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Prenol lipids
Sub class: Triterpenoids
Synonymous chemical names: ganodercochlearin c
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 468.77 Log P RDKit 8.13 Topological polar surface area (Å2 ) RDKit 29.46 Number of hydrogen bond acceptors RDKit 2 Number of hydrogen bond donors RDKit 1 Number of carbon atoms RDKit 32 Number of heavy atoms RDKit 34 Number of heteroatoms RDKit 2 Number of nitrogen atoms RDKit 0 Number of sulfur atoms RDKit 0 Number of chiral carbon atoms RDKit 8 Stereochemical complexity RDKit 0.25 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 6 Number of sp3 hybridized carbon atoms RDKit 26 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.81 Shape complexity RDKit 0.81 Number of rotatable bonds SwissADME 5 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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