Secondary metabolite: (+)-Applanatumol P Summary Molecular formula: C17H20O7
SMILES: OCC(=C)[C@@H]1CC[C@](O1)(CC(=O)c1cc(O)ccc1O)C(=O)OC InChI: InChI=1S/C17H20O7/c1-10(9-18)15-5-6-17(24-15,16(22)23-2)8-14(21)12-7-11(19)3-4-13(12)20/h3-4,7,15,18-20H,1,5-6,8-9H2,2H3/t15-,17-/m0/s1 InChIKey: NNWFNIAYBDEVTF-RDJZCZTQSA-N
Chemical classification Kingdom: Organic compounds
Super class: Organic oxygen compounds Class: Organooxygen compounds
Sub class: Carbonyl compounds
Synonymous chemical names: (+)-applanatumol p
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 336.34 Log P RDKit 1.31 Topological polar surface area (Å2 ) RDKit 113.29 Number of hydrogen bond acceptors RDKit 7 Number of hydrogen bond donors RDKit 3 Number of carbon atoms RDKit 17 Number of heavy atoms RDKit 24 Number of heteroatoms RDKit 7 Number of nitrogen atoms RDKit 0 Number of sulfur atoms RDKit 0 Number of chiral carbon atoms RDKit 2 Stereochemical complexity RDKit 0.12 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 10 Number of sp3 hybridized carbon atoms RDKit 7 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.41 Shape complexity RDKit 0.41 Number of rotatable bonds SwissADME 7 Number of aliphatic carbocycles RDKit 0 Number of aliphatic heterocycles RDKit 1 Number of aliphatic rings RDKit 1 Number of aromatic carbocycles RDKit 1 Number of aromatic heterocycles RDKit 0 Number of aromatic rings RDKit 1 Total number of rings RDKit 2 Number of saturated carbocycles RDKit 0 Number of saturated heterocycles RDKit 1 Number of saturated rings RDKit 1 Number of Smallest Set of Smallest Rings (SSSR) RDKit 2
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