Secondary metabolite: 3-O-acetylganoderic acid K Summary Molecular formula: C32H46O8
SMILES: O=C(C[C@H]([C@H]1C[C@@H]([C@@]2([C@]1(C)CC(=O)C1=C2C(=O)C[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)OC(=O)C)C)O)C)CC(C(=O)O)C InChI: InChI=1S/C32H46O8/c1-16(11-19(34)12-17(2)28(38)39)20-13-24(37)32(8)27-21(35)14-23-29(4,5)25(40-18(3)33)9-10-30(23,6)26(27)22(36)15-31(20,32)7/h16-17,20,23-25,37H,9-15H2,1-8H3,(H,38,39)/t16-,17?,20-,23+,24+,25+,30+,31-,32+/m1/s1 InChIKey: POQMIGQCVPIYKY-QDUVPPPZSA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Prenol lipids
Sub class: Triterpenoids
Synonymous chemical names: 3-o-acetyl ganoderic acid k, 3-o-acetylganoderic acid k
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 558.71 Log P RDKit 4.7 Topological polar surface area (Å2 ) RDKit 135.04 Number of hydrogen bond acceptors RDKit 7 Number of hydrogen bond donors RDKit 2 Number of carbon atoms RDKit 32 Number of heavy atoms RDKit 40 Number of heteroatoms RDKit 8 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 7 Number of sp3 hybridized carbon atoms RDKit 25 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.78 Shape complexity RDKit 0.78 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
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