Secondary metabolite: Sarcodonin G Summary Molecular formula: C20H28O3
SMILES: OC[C@H](C1=C2[C@H]3CC=C(CC(=O)[C@]3(C)CC[C@]2(CC1)C)C=O)C InChI: InChI=1S/C20H28O3/c1-13(11-21)15-6-7-19(2)8-9-20(3)16(18(15)19)5-4-14(12-22)10-17(20)23/h4,12-13,16,21H,5-11H2,1-3H3/t13-,16-,19-,20-/m1/s1 InChIKey: QCQNVTLNEHGTQY-SFNSOECISA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Prenol lipids
Sub class: Diterpenoids
Synonymous chemical names: sarcodonin g
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 316.44 Log P RDKit 3.62 Topological polar surface area (Å2 ) RDKit 54.37 Number of hydrogen bond acceptors RDKit 3 Number of hydrogen bond donors RDKit 1 Number of carbon atoms RDKit 20 Number of heavy atoms RDKit 23 Number of heteroatoms RDKit 3 Number of nitrogen atoms RDKit 0 Number of sulfur atoms RDKit 0 Number of chiral carbon atoms RDKit 4 Stereochemical complexity RDKit 0.2 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 3 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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