Secondary metabolite: 26-Hydroxyporicoic acid DM Summary Molecular formula: C32H48O7
SMILES: COC(=O)CC[C@@]1(C)[C@@H](CC=C2C1=CC[C@]1([C@@]2(C)C[C@H]([C@@H]1C(C(=O)O)CCC(=C)C(CO)(O)C)O)C)C(=C)C InChI: InChI=1S/C32H48O7/c1-19(2)22-11-12-24-23(29(22,4)15-14-26(35)39-8)13-16-30(5)27(25(34)17-31(24,30)6)21(28(36)37)10-9-20(3)32(7,38)18-33/h12-13,21-22,25,27,33-34,38H,1,3,9-11,14-18H2,2,4-8H3,(H,36,37)/t21?,22-,25+,27-,29-,30+,31-,32?/m0/s1 InChIKey: VWGBTUVMVDGTRM-XZUPHIJISA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Prenol lipids
Sub class: Triterpenoids
Synonymous chemical names: 26-hydroxyporicoic acid dm
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 544.73 Log P RDKit 4.97 Topological polar surface area (Å2 ) RDKit 124.29 Number of hydrogen bond acceptors RDKit 6 Number of hydrogen bond donors RDKit 4 Number of carbon atoms RDKit 32 Number of heavy atoms RDKit 39 Number of heteroatoms RDKit 7 Number of nitrogen atoms RDKit 0 Number of sulfur atoms RDKit 0 Number of chiral carbon atoms RDKit 8 Stereochemical complexity RDKit 0.25 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 10 Number of sp3 hybridized carbon atoms RDKit 22 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.69 Shape complexity RDKit 0.69 Number of rotatable bonds SwissADME 12 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
TOP 
