Secondary metabolite: Antcamphorol D Summary Molecular formula: C28H42O6
SMILES: C[C@H](C(=C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC(=O)C1=C2[C@@H](O)C[C@@H]2[C@]1(C)CC[C@H]([C@@H]2O)O)C)C(=O)O InChI: InChI=1S/C28H42O6/c1-14(16(3)26(33)34)6-7-15(2)17-8-9-18-23-21(30)12-19-25(32)20(29)10-11-27(19,4)24(23)22(31)13-28(17,18)5/h15-21,25,29-30,32H,1,6-13H2,2-5H3,(H,33,34)/t15-,16-,17-,18+,19+,20-,21+,25-,27+,28-/m1/s1 InChIKey: GBHCASQTLCYQBV-NJKFEIGZSA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Steroids and steroid derivatives
Sub class: Bile acids, alcohols and derivatives
Synonymous chemical names: antcamphorol d
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 474.64 Log P RDKit 3.88 Topological polar surface area (Å2 ) RDKit 115.06 Number of hydrogen bond acceptors RDKit 5 Number of hydrogen bond donors RDKit 4 Number of carbon atoms RDKit 28 Number of heavy atoms RDKit 34 Number of heteroatoms RDKit 6 Number of nitrogen atoms RDKit 0 Number of sulfur atoms RDKit 0 Number of chiral carbon atoms RDKit 10 Stereochemical complexity RDKit 0.36 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 6 Number of sp3 hybridized carbon atoms RDKit 22 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.79 Shape complexity RDKit 0.79 Number of rotatable bonds SwissADME 6 Number of aliphatic carbocycles RDKit 4 Number of aliphatic heterocycles RDKit 0 Number of aliphatic rings RDKit 4 Number of aromatic carbocycles RDKit 0 Number of aromatic heterocycles RDKit 0 Number of aromatic rings RDKit 0 Total number of rings RDKit 4 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 4
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