Secondary metabolite: Ganoderchochlearin A Summary Molecular formula: C30H48O3
SMILES: C[C@@H]([C@H]1CC[C@@]2([C@]1(C)CC=C1C2=CCC2[C@]1(C)CC[C@@H](C2(C)C)O)C)[C@H]1C[C@@H](C(O1)(C)C)O InChI: InChI=1S/C30H48O3/c1-18(22-17-25(32)27(4,5)33-22)19-11-15-30(8)21-9-10-23-26(2,3)24(31)13-14-28(23,6)20(21)12-16-29(19,30)7/h9,12,18-19,22-25,31-32H,10-11,13-17H2,1-8H3/t18-,19+,22+,23?,24-,25-,28+,29+,30-/m0/s1 InChIKey: ZSJNLSFWYLWTHK-WKEZUKLNSA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Prenol lipids
Sub class: Triterpenoids
Synonymous chemical names: ganoderchochlearin a, ganodercochlearin a
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 456.71 Log P RDKit 6.44 Topological polar surface area (Å2 ) RDKit 49.69 Number of hydrogen bond acceptors RDKit 3 Number of hydrogen bond donors RDKit 2 Number of carbon atoms RDKit 30 Number of heavy atoms RDKit 33 Number of heteroatoms RDKit 3 Number of nitrogen atoms RDKit 0 Number of sulfur atoms RDKit 0 Number of chiral carbon atoms RDKit 9 Stereochemical complexity RDKit 0.3 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 4 Number of sp3 hybridized carbon atoms RDKit 26 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.87 Shape complexity RDKit 0.87 Number of rotatable bonds SwissADME 2 Number of aliphatic carbocycles RDKit 4 Number of aliphatic heterocycles RDKit 1 Number of aliphatic rings RDKit 5 Number of aromatic carbocycles RDKit 0 Number of aromatic heterocycles RDKit 0 Number of aromatic rings RDKit 0 Total number of rings RDKit 5 Number of saturated carbocycles RDKit 2 Number of saturated heterocycles RDKit 1 Number of saturated rings RDKit 3 Number of Smallest Set of Smallest Rings (SSSR) RDKit 5
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