Secondary metabolite: Methyl-O-acetyl ganoderate C Summary Molecular formula: C35H48O10
SMILES: COC(=O)C(CC(=O)C[C@H]([C@H]1C[CH](=O)[C@@]2([C@]1(C)[C@H](OC(=O)C)C(=O)C1=C2[CH](=O)CC2[C@]1(C)CC[C@@H](C2(C)C)OC(=O)C)C)C)C InChI: InChI=1S/C35H50O10/c1-17(13-21(38)14-18(2)31(42)43-10)22-15-25(40)35(9)27-23(39)16-24-32(5,6)26(44-19(3)36)11-12-33(24,7)28(27)29(41)30(34(22,35)8)45-20(4)37/h17-18,22-26,30H,11-16H2,1-10H3/t17-,18?,22-,24?,26+,30-,33+,34+,35+/m1/s1 InChIKey: KGCJACPAVYILLT-FCLRZNJGSA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Prenol lipids
Sub class: Triterpenoids
Synonymous chemical names: methyl-o-acetyl ganoderate c
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 628.76 Log P RDKit 4.54 Topological polar surface area (Å2 ) RDKit 147.18 Number of hydrogen bond acceptors RDKit 10 Number of hydrogen bond donors RDKit 0 Number of carbon atoms RDKit 35 Number of heavy atoms RDKit 45 Number of heteroatoms RDKit 10 Number of nitrogen atoms RDKit 0 Number of sulfur atoms RDKit 0 Number of chiral carbon atoms RDKit 9 Stereochemical complexity RDKit 0.26 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 9 Number of sp3 hybridized carbon atoms RDKit 26 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.74 Shape complexity RDKit 0.74 Number of rotatable bonds SwissADME 11 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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