Secondary metabolite: Gibbosicolid F Summary Molecular formula: C30H40O7
SMILES: OC(=O)CC[C@@]1(C)[C@@H](C[C@@H]2[C@]3(C1=CC(=O)[C@]1([C@@]3(C)[C@H](O)C[C@@H]1/C(=C/[C@H]1C[C@@H](C(=O)O1)C)/C)C)O2)C(=C)C InChI: InChI=1S/C30H40O7/c1-15(2)19-13-24-30(37-24)21(27(19,5)9-8-25(33)34)14-22(31)28(6)20(12-23(32)29(28,30)7)16(3)10-18-11-17(4)26(35)36-18/h10,14,17-20,23-24,32H,1,8-9,11-13H2,2-7H3,(H,33,34)/b16-10+/t17-,18-,19-,20+,23+,24+,27-,28-,29+,30-/m0/s1 InChIKey: CSKGXFUFBCYWJL-HKLUPHJKSA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Prenol lipids
Sub class: Triterpenoids
Synonymous chemical names: gibbosicolid f
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 512.64 Log P RDKit 4.39 Topological polar surface area (Å2 ) RDKit 113.43 Number of hydrogen bond acceptors RDKit 6 Number of hydrogen bond donors RDKit 2 Number of carbon atoms RDKit 30 Number of heavy atoms RDKit 37 Number of heteroatoms RDKit 7 Number of nitrogen atoms RDKit 0 Number of sulfur atoms RDKit 0 Number of chiral carbon atoms RDKit 10 Stereochemical complexity RDKit 0.33 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 9 Number of sp3 hybridized carbon atoms RDKit 21 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.7 Shape complexity RDKit 0.7 Number of rotatable bonds SwissADME 6 Number of aliphatic carbocycles RDKit 3 Number of aliphatic heterocycles RDKit 2 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 2 Number of saturated heterocycles RDKit 2 Number of saturated rings RDKit 4 Number of Smallest Set of Smallest Rings (SSSR) RDKit 5
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