Secondary metabolite: Cyathin T Summary Molecular formula: C20H28O2
SMILES: CC1=CC(=O)[C@]2([C@H](CC1)C1=C(C(C)C)C(=O)C[C@@]1(CC2)C)C InChI: InChI=1S/C20H28O2/c1-12(2)17-15(21)11-19(4)8-9-20(5)14(18(17)19)7-6-13(3)10-16(20)22/h10,12,14H,6-9,11H2,1-5H3/t14-,19+,20-/m1/s1 InChIKey: DNAOJSASUJOVEF-VOBQZIQPSA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Prenol lipids
Sub class: Diterpenoids
Synonymous chemical names: cyathin t
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 300.44 Log P RDKit 4.64 Topological polar surface area (Å2 ) RDKit 34.14 Number of hydrogen bond acceptors RDKit 2 Number of hydrogen bond donors RDKit 0 Number of carbon atoms RDKit 20 Number of heavy atoms RDKit 22 Number of heteroatoms RDKit 2 Number of nitrogen atoms RDKit 0 Number of sulfur atoms RDKit 0 Number of chiral carbon atoms RDKit 3 Stereochemical complexity RDKit 0.15 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 6 Number of sp3 hybridized carbon atoms RDKit 14 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.7 Shape complexity RDKit 0.7 Number of rotatable bonds SwissADME 1 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 
