Secondary metabolite: Ganoleucoin L Summary Molecular formula: C36H48O11
SMILES: O=C(C[C@](CC(=O)O)(O)C)OC[C@]1(C)C(=O)CC[C@]2([C@H]1CC(=O)C1=C2C(=O)C[C@]2([C@@]1(C)C(=O)C[C@@H]2[C@@H](CC/C=C(/C(=O)O)C)C)C)C InChI: InChI=1S/C36H48O11/c1-19(9-8-10-20(2)31(44)45)21-13-26(40)36(7)30-22(37)14-24-33(4,29(30)23(38)15-35(21,36)6)12-11-25(39)34(24,5)18-47-28(43)17-32(3,46)16-27(41)42/h10,19,21,24,46H,8-9,11-18H2,1-7H3,(H,41,42)(H,44,45)/b20-10+/t19-,21-,24-,32+,33+,34+,35-,36+/m1/s1 InChIKey: UTHBIXXKXDUNGA-HNFDVGSYSA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Prenol lipids
Sub class: Triterpenoids
Synonymous chemical names: ganoleucoin l, ganoleuconin l
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 656.77 Log P RDKit 4.43 Topological polar surface area (Å2 ) RDKit 189.41 Number of hydrogen bond acceptors RDKit 9 Number of hydrogen bond donors RDKit 3 Number of carbon atoms RDKit 36 Number of heavy atoms RDKit 47 Number of heteroatoms RDKit 11 Number of nitrogen atoms RDKit 0 Number of sulfur atoms RDKit 0 Number of chiral carbon atoms RDKit 8 Stereochemical complexity RDKit 0.22 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 11 Number of sp3 hybridized carbon atoms RDKit 25 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.69 Shape complexity RDKit 0.69 Number of rotatable bonds SwissADME 12 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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