Secondary metabolite: (+)-Applanatumol K Summary Molecular formula: C16H18O7
SMILES: C=C1[C@H](O)CC[C@]([C@@H]1O)(CC(=O)c1cc(O)ccc1O)C(=O)O InChI: InChI=1S/C16H18O7/c1-8-11(18)4-5-16(14(8)21,15(22)23)7-13(20)10-6-9(17)2-3-12(10)19/h2-3,6,11,14,17-19,21H,1,4-5,7H2,(H,22,23)/t11-,14-,16-/m1/s1 InChIKey: GZVVHHXNPRBBSD-DJSGYFEHSA-N
Chemical classification Kingdom: Organic compounds
Super class: Organic oxygen compounds Class: Organooxygen compounds
Sub class: Carbonyl compounds
Synonymous chemical names: (+)-applanatumol k
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 322.31 Log P RDKit 0.81 Topological polar surface area (Å2 ) RDKit 135.29 Number of hydrogen bond acceptors RDKit 6 Number of hydrogen bond donors RDKit 5 Number of carbon atoms RDKit 16 Number of heavy atoms RDKit 23 Number of heteroatoms RDKit 7 Number of nitrogen atoms RDKit 0 Number of sulfur atoms RDKit 0 Number of chiral carbon atoms RDKit 3 Stereochemical complexity RDKit 0.19 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 10 Number of sp3 hybridized carbon atoms RDKit 6 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.38 Shape complexity RDKit 0.38 Number of rotatable bonds SwissADME 4 Number of aliphatic carbocycles RDKit 1 Number of aliphatic heterocycles RDKit 0 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 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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