Secondary metabolite: Ganosineniol A Summary Molecular formula: C25H40O5
SMILES: OC[C@H]([C@H]1C[C@@H]([C@@]2([C@]1(C)CC(=O)C1=C2[C@@H](O)CC2[C@]1(C)CC[C@@H](C2(C)C)O)C)O)C InChI: InChI=1S/C25H40O5/c1-13(12-26)14-9-19(30)25(6)21-15(27)10-17-22(2,3)18(29)7-8-23(17,4)20(21)16(28)11-24(14,25)5/h13-15,17-19,26-27,29-30H,7-12H2,1-6H3/t13-,14-,15+,17?,18+,19+,23+,24-,25+/m1/s1 InChIKey: SGVUAJJCIGJLFB-PJLVYECESA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Prenol lipids
Sub class: Triterpenoids
Synonymous chemical names: ganosineniol a
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 420.59 Log P RDKit 2.85 Topological polar surface area (Å2 ) RDKit 97.99 Number of hydrogen bond acceptors RDKit 5 Number of hydrogen bond donors RDKit 4 Number of carbon atoms RDKit 25 Number of heavy atoms RDKit 30 Number of heteroatoms RDKit 5 Number of nitrogen atoms RDKit 0 Number of sulfur atoms RDKit 0 Number of chiral carbon atoms RDKit 9 Stereochemical complexity RDKit 0.36 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 3 Number of sp3 hybridized carbon atoms RDKit 22 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.88 Shape complexity RDKit 0.88 Number of rotatable bonds SwissADME 2 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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