Secondary metabolite: Ganoleuconin A Summary Molecular formula: C30H44O6
SMILES: OC[C@]1(C)C(=O)CC[C@]2([C@H]1C[C@H](O)C1=C2C(=O)C[C@]2([C@@]1(C)CC[C@@H]2[C@@H](CC/C=C(/C(=O)O)C)C)C)C InChI: InChI=1S/C30H44O6/c1-17(8-7-9-18(2)26(35)36)19-10-13-29(5)25-20(32)14-22-27(3,12-11-23(34)28(22,4)16-31)24(25)21(33)15-30(19,29)6/h9,17,19-20,22,31-32H,7-8,10-16H2,1-6H3,(H,35,36)/b18-9+/t17-,19-,20+,22-,27+,28+,29+,30-/m1/s1 InChIKey: BXIVNEDAKFDOSD-SINRGWJHSA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Prenol lipids
Sub class: Triterpenoids
Synonymous chemical names: ganoleuconin a
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 500.68 Log P RDKit 4.87 Topological polar surface area (Å2 ) RDKit 111.9 Number of hydrogen bond acceptors RDKit 5 Number of hydrogen bond donors RDKit 3 Number of carbon atoms RDKit 30 Number of heavy atoms RDKit 36 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 0.27 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 7 Number of sp3 hybridized carbon atoms RDKit 23 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.77 Shape complexity RDKit 0.77 Number of rotatable bonds SwissADME 6 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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