Secondary metabolite: 15-O-acetylganolucidate A Summary Molecular formula: C32H46O7
SMILES: O=C(CC(C(=O)O)C)C[C@H]([C@H]1C[C@@H]([C@@]2([C@]1(C)CC(=O)C1=C2CC[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)OC(=O)C)C InChI: InChI=1S/C32H46O7/c1-17(13-20(34)14-18(2)28(37)38)22-15-26(39-19(3)33)32(8)21-9-10-24-29(4,5)25(36)11-12-30(24,6)27(21)23(35)16-31(22,32)7/h17-18,22,24,26H,9-16H2,1-8H3,(H,37,38)/t17-,18?,22-,24+,26+,30+,31-,32-/m1/s1 InChIKey: CKXRGSLEGLFLRZ-NWWXHUCFSA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Prenol lipids
Sub class: Triterpenoids
Synonymous chemical names: 15-o-acetylganolucidate a
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 542.71 Log P RDKit 5.73 Topological polar surface area (Å2 ) RDKit 114.81 Number of hydrogen bond acceptors RDKit 6 Number of hydrogen bond donors RDKit 1 Number of carbon atoms RDKit 32 Number of heavy atoms RDKit 39 Number of heteroatoms RDKit 7 Number of nitrogen atoms RDKit 0 Number of sulfur atoms RDKit 0 Number of chiral carbon atoms RDKit 8 Stereochemical complexity RDKit 0.25 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 7 Number of sp3 hybridized carbon atoms RDKit 25 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.78 Shape complexity RDKit 0.78 Number of rotatable bonds SwissADME 8 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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