Secondary metabolite: Ganoleucoin AA Summary Molecular formula: C32H42O9
SMILES: OC[C@@]1(C)C(=O)CC2[C@]3(C1CC(=O)C1=C3[C@@]2(O)[C@@H](OC(=O)C)[C@]2([C@@]1(C)C(=O)C[C@@H]2[C@@H](CCC=C(C(=O)O)C)C)C)C InChI: InChI=1S/C32H42O9/c1-15(9-8-10-16(2)26(38)39)18-11-23(37)31(7)24-19(35)12-20-28(4,14-33)22(36)13-21-29(20,5)25(24)32(21,40)27(30(18,31)6)41-17(3)34/h10,15,18,20-21,27,33,40H,8-9,11-14H2,1-7H3,(H,38,39)/t15-,18-,20?,21?,27+,28-,29-,30+,31+,32-/m1/s1 InChIKey: ALIBLFYUASRDET-TVSZDTPLSA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Prenol lipids
Sub class: Triterpenoids
Synonymous chemical names: ganoleucoin aa
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 570.68 Log P RDKit 3.2 Topological polar surface area (Å2 ) RDKit 155.27 Number of hydrogen bond acceptors RDKit 8 Number of hydrogen bond donors RDKit 3 Number of carbon atoms RDKit 32 Number of heavy atoms RDKit 41 Number of heteroatoms RDKit 9 Number of nitrogen atoms RDKit 0 Number of sulfur atoms RDKit 0 Number of chiral carbon atoms RDKit 10 Stereochemical complexity RDKit 0.31 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 9 Number of sp3 hybridized carbon atoms RDKit 23 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.72 Shape complexity RDKit 0.72 Number of rotatable bonds SwissADME 8 Number of aliphatic carbocycles RDKit 5 Number of aliphatic heterocycles RDKit 0 Number of aliphatic rings RDKit 5 Number of aromatic carbocycles RDKit 0 Number of aromatic heterocycles RDKit 0 Number of aromatic rings RDKit 0 Total number of rings RDKit 5 Number of saturated carbocycles RDKit 3 Number of saturated heterocycles RDKit 0 Number of saturated rings RDKit 3 Number of Smallest Set of Smallest Rings (SSSR) RDKit 5
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