Secondary metabolite: 14-Hydroxy-5-desoxy-2s,3s,9r-illudosin Summary Molecular formula: C15H24O3
SMILES: O=C/C(=C/1CC[C@@]1(C)[C@@H]1C[C@](C[C@H]1O)(C)CO)/C InChI: InChI=1S/C15H24O3/c1-10(8-16)11-4-5-15(11,3)12-6-14(2,9-17)7-13(12)18/h8,12-13,17-18H,4-7,9H2,1-3H3/b11-10+/t12-,13-,14+,15-/m1/s1 InChIKey: AXEKOLRQAGIULX-JPPPHGFVSA-N
Chemical classification Kingdom: Organic compounds
Super class: Organic oxygen compounds Class: Organooxygen compounds
Sub class: Alcohols and polyols
Synonymous chemical names: 14-hydroxy-5-desoxy-2s,3s,9r-illudosin
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 252.35 Log P RDKit 2.07 Topological polar surface area (Å2 ) RDKit 57.53 Number of hydrogen bond acceptors RDKit 3 Number of hydrogen bond donors RDKit 2 Number of carbon atoms RDKit 15 Number of heavy atoms RDKit 18 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 0.27 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 3 Number of sp3 hybridized carbon atoms RDKit 12 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.8 Shape complexity RDKit 0.8 Number of rotatable bonds SwissADME 3 Number of aliphatic carbocycles RDKit 2 Number of aliphatic heterocycles RDKit 0 Number of aliphatic rings RDKit 2 Number of aromatic carbocycles RDKit 0 Number of aromatic heterocycles RDKit 0 Number of aromatic rings RDKit 0 Total number of rings RDKit 2 Number of saturated carbocycles RDKit 2 Number of saturated heterocycles RDKit 0 Number of saturated rings RDKit 2 Number of Smallest Set of Smallest Rings (SSSR) RDKit 2
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