Secondary metabolite: Cordycepol C Summary Molecular formula: C15H26O4
SMILES: OO[C@]1(C)CC[C@]2(C=C1)[C@@H](C)CC[C@@H]2[C@@](CO)(O)C InChI: InChI=1S/C15H26O4/c1-11-4-5-12(14(3,17)10-16)15(11)8-6-13(2,19-18)7-9-15/h6,8,11-12,16-18H,4-5,7,9-10H2,1-3H3/t11-,12+,13-,14+,15+/m0/s1 InChIKey: CGAGMAHEIWCVNP-XPABHHOTSA-N
Chemical classification Kingdom: Organic compounds
Super class: Organic oxygen compounds Class: Organooxygen compounds
Sub class: Alcohols and polyols
Synonymous chemical names: cordycepol c
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 270.37 Log P RDKit 2.36 Topological polar surface area (Å2 ) RDKit 69.92 Number of hydrogen bond acceptors RDKit 4 Number of hydrogen bond donors RDKit 3 Number of carbon atoms RDKit 15 Number of heavy atoms RDKit 19 Number of heteroatoms RDKit 4 Number of nitrogen atoms RDKit 0 Number of sulfur atoms RDKit 0 Number of chiral carbon atoms RDKit 5 Stereochemical complexity RDKit 0.33 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 2 Number of sp3 hybridized carbon atoms RDKit 13 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.87 Shape complexity RDKit 0.87 Number of rotatable bonds SwissADME 3 Number of aliphatic carbocycles RDKit 2 Number of aliphatic heterocycles RDKit 0 Number of aliphatic rings RDKit 2 Number of aromatic carbocycles RDKit 0 Number of aromatic heterocycles RDKit 0 Number of aromatic rings RDKit 0 Total number of rings RDKit 2 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 2
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