Secondary metabolite: Poricoic acid HM Summary Molecular formula: C32H50O5
SMILES: COC(=O)CC[C@@]1(C)[C@@H](CCC2=C1CC[C@]1([C@@]2(C)C[C@H]([C@@H]1C(C(=O)O)CCC(=C)C(C)C)O)C)C(=C)C InChI: InChI=1S/C32H50O5/c1-19(2)21(5)10-11-22(29(35)36)28-26(33)18-32(8)25-13-12-23(20(3)4)30(6,16-15-27(34)37-9)24(25)14-17-31(28,32)7/h19,22-23,26,28,33H,3,5,10-18H2,1-2,4,6-9H3,(H,35,36)/t22?,23-,26+,28-,30-,31+,32-/m0/s1 InChIKey: JCSGIMZUEZTOAC-GBVQTJPHSA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Prenol lipids
Sub class: Triterpenoids
Synonymous chemical names: poricoic acid hm
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 514.75 Log P RDKit 7.11 Topological polar surface area (Å2 ) RDKit 83.83 Number of hydrogen bond acceptors RDKit 4 Number of hydrogen bond donors RDKit 2 Number of carbon atoms RDKit 32 Number of heavy atoms RDKit 37 Number of heteroatoms RDKit 5 Number of nitrogen atoms RDKit 0 Number of sulfur atoms RDKit 0 Number of chiral carbon atoms RDKit 7 Stereochemical complexity RDKit 0.22 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 11 Number of aliphatic carbocycles RDKit 3 Number of aliphatic heterocycles RDKit 0 Number of aliphatic rings RDKit 3 Number of aromatic carbocycles RDKit 0 Number of aromatic heterocycles RDKit 0 Number of aromatic rings RDKit 0 Total number of rings RDKit 3 Number of saturated carbocycles RDKit 1 Number of saturated heterocycles RDKit 0 Number of saturated rings RDKit 1 Number of Smallest Set of Smallest Rings (SSSR) RDKit 3
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