Secondary metabolite: Glaucopine C Summary Molecular formula: C20H26O3
SMILES: O=CC1=CC=C2[C@@]([C@H](C1)O)(C)CC[C@@]1([C@H]2C(=CC1=O)C(C)C)C InChI: InChI=1S/C20H26O3/c1-12(2)14-10-17(23)20(4)8-7-19(3)15(18(14)20)6-5-13(11-21)9-16(19)22/h5-6,10-12,16,18,22H,7-9H2,1-4H3/t16-,18-,19+,20-/m0/s1 InChIKey: XCQLNGDKZRFYGX-FFGOWVMKSA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Prenol lipids
Sub class: Diterpenoids
Synonymous chemical names: glaucopine c
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 314.43 Log P RDKit 3.39 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 8 Number of sp3 hybridized carbon atoms RDKit 12 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.6 Shape complexity RDKit 0.6 Number of rotatable bonds SwissADME 2 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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