Secondary metabolite: Ganodernoid B Summary Molecular formula: C25H34O6
SMILES: OC(=O)[C@H]([C@H]1CC(=O)[C@@]2([C@]1(C)CC(=O)C1=C2[C@@H](O)C[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)C InChI: InChI=1S/C25H34O6/c1-12(21(30)31)13-9-18(29)25(6)20-14(26)10-16-22(2,3)17(28)7-8-23(16,4)19(20)15(27)11-24(13,25)5/h12-14,16,26H,7-11H2,1-6H3,(H,30,31)/t12-,13+,14-,16-,23-,24+,25-/m0/s1 InChIKey: WJJMXGMVRMDYBU-UVKILWEPSA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Prenol lipids
Sub class: Triterpenoids
Synonymous chemical names: ganodernoid b
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 430.54 Log P RDKit 3.35 Topological polar surface area (Å2 ) RDKit 108.74 Number of hydrogen bond acceptors RDKit 5 Number of hydrogen bond donors RDKit 2 Number of carbon atoms RDKit 25 Number of heavy atoms RDKit 31 Number of heteroatoms RDKit 6 Number of nitrogen atoms RDKit 0 Number of sulfur atoms RDKit 0 Number of chiral carbon atoms RDKit 7 Stereochemical complexity RDKit 0.28 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 6 Number of sp3 hybridized carbon atoms RDKit 19 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.76 Shape complexity RDKit 0.76 Number of rotatable bonds SwissADME 2 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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