Secondary metabolite: Ganorbiformin D Summary Molecular formula: C34H50O8
SMILES: CC(=O)O[C@H]1C[C@@H]([C@@]2([C@]1(C)C1=C(CC2)[C@@]2([C@@H](C[C@H]1O)C(C)(C)C(=O)CC2)C)C)[C@@H]([C@@H](OC(=O)C)C/C=C(/C(=O)O)C)C InChI: InChI=1S/C34H50O8/c1-18(30(39)40)10-11-25(41-20(3)35)19(2)23-16-28(42-21(4)36)34(9)29-22(12-15-33(23,34)8)32(7)14-13-27(38)31(5,6)26(32)17-24(29)37/h10,19,23-26,28,37H,11-17H2,1-9H3,(H,39,40)/b18-10+/t19-,23+,24+,25-,26-,28-,32+,33+,34-/m0/s1 InChIKey: PIXCAIMOZGDGSW-WYZYZNIOSA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Prenol lipids
Sub class: Triterpenoids
Synonymous chemical names: ganorbiformin d
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 586.77 Log P RDKit 5.81 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 34 Number of heavy atoms RDKit 42 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 0.26 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 8 Number of sp3 hybridized carbon atoms RDKit 26 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.76 Shape complexity RDKit 0.76 Number of rotatable bonds SwissADME 9 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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