Secondary metabolite: 12-Acetoxy ganoderic acid D Summary Molecular formula: C32H44O9
SMILES: O=C(CC(C(=O)O)C)C[C@H](C1CC(=O)[C@@]2([C@]1(C)C(OC(=O)C)C(=O)C1=C2[C@@H](O)CC2[C@]1(C)CCC(=O)C2(C)C)C)C InChI: InChI=1S/C32H44O9/c1-15(11-18(34)12-16(2)28(39)40)19-13-23(37)32(8)24-20(35)14-21-29(4,5)22(36)9-10-30(21,6)25(24)26(38)27(31(19,32)7)41-17(3)33/h15-16,19-21,27,35H,9-14H2,1-8H3,(H,39,40)/t15-,16?,19?,20+,21?,27?,30+,31+,32+/m1/s1 InChIKey: RUQXKZSULBJADG-HVFQNBMLSA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Prenol lipids
Sub class: Triterpenoids
Synonymous chemical names: 12-acetoxy ganoderic acid d
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 572.7 Log P RDKit 3.88 Topological polar surface area (Å2 ) RDKit 152.11 Number of hydrogen bond acceptors RDKit 8 Number of hydrogen bond donors RDKit 2 Number of carbon atoms RDKit 32 Number of heavy atoms RDKit 41 Number of heteroatoms RDKit 9 Number of nitrogen atoms RDKit 0 Number of sulfur atoms RDKit 0 Number of chiral carbon atoms RDKit 9 Stereochemical complexity RDKit 0.28 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 8 Number of sp3 hybridized carbon atoms RDKit 24 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.75 Shape complexity RDKit 0.75 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
TOP 
