Secondary metabolite: Sterhirsutin G Summary Molecular formula: C31H38O8
SMILES: COCC1=C(O)C(=O)[C@H]2[C@]1(C)[C@@H]1C[C@@](C[C@@H]1C2)(C)C(=O)OC1=C2C[C@@H]3[C@H]([C@@]2(C(=C)C1=O)C)C[C@@](C3)(C)C(=O)O InChI: InChI=1S/C31H38O8/c1-14-22(32)25(18-8-16-9-28(2,26(35)36)11-19(16)30(14,18)4)39-27(37)29(3)10-15-7-17-23(33)24(34)21(13-38-6)31(17,5)20(15)12-29/h15-17,19-20,34H,1,7-13H2,2-6H3,(H,35,36)/t15-,16-,17-,19+,20+,28-,29-,30+,31+/m0/s1 InChIKey: STIOSXDIQODUAH-NVECWKKRSA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Prenol lipids
Sub class: Sesquiterpenoids
Synonymous chemical names: sterhirsutin g
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 538.64 Log P RDKit 4.55 Topological polar surface area (Å2 ) RDKit 127.2 Number of hydrogen bond acceptors RDKit 7 Number of hydrogen bond donors RDKit 2 Number of carbon atoms RDKit 31 Number of heavy atoms RDKit 39 Number of heteroatoms RDKit 8 Number of nitrogen atoms RDKit 0 Number of sulfur atoms RDKit 0 Number of chiral carbon atoms RDKit 9 Stereochemical complexity RDKit 0.29 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 10 Number of sp3 hybridized carbon atoms RDKit 21 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.68 Shape complexity RDKit 0.68 Number of rotatable bonds SwissADME 6 Number of aliphatic carbocycles RDKit 6 Number of aliphatic heterocycles RDKit 0 Number of aliphatic rings RDKit 6 Number of aromatic carbocycles RDKit 0 Number of aromatic heterocycles RDKit 0 Number of aromatic rings RDKit 0 Total number of rings RDKit 6 Number of saturated carbocycles RDKit 4 Number of saturated heterocycles RDKit 0 Number of saturated rings RDKit 4 Number of Smallest Set of Smallest Rings (SSSR) RDKit 6
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