Secondary metabolite: Colossolactone VIII Summary Molecular formula: C32H42O7
SMILES: CC(=O)O[C@@H]1C[C@@H]([C@@]2([C@]1(C)C1=C(CC2)C=C2[C@@H](CC1)C(C)(C)OC(=O)C=C2)C)[C@@H]([C@@H]1OC(=O)C(=C[C@H]1O)C)C InChI: InChI=1S/C32H42O7/c1-17-14-25(34)28(38-29(17)36)18(2)24-16-26(37-19(3)33)32(7)23-10-9-22-20(8-11-27(35)39-30(22,4)5)15-21(23)12-13-31(24,32)6/h8,11,14-15,18,22,24-26,28,34H,9-10,12-13,16H2,1-7H3/t18-,22+,24+,25+,26+,28-,31+,32+/m0/s1 InChIKey: XNFBOJFRJTXMJL-OZXCYFAESA-N
Chemical classification Kingdom: Organic compounds
Super class: Organic acids and derivatives Class: Carboxylic acids and derivatives
Sub class: Tricarboxylic acids and derivatives
Synonymous chemical names: colossolactone viii
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 538.68 Log P RDKit 5.14 Topological polar surface area (Å2 ) RDKit 99.13 Number of hydrogen bond acceptors RDKit 7 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 11 Number of sp3 hybridized carbon atoms RDKit 21 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.66 Shape complexity RDKit 0.66 Number of rotatable bonds SwissADME 4 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 1 Number of saturated heterocycles RDKit 0 Number of saturated rings RDKit 1 Number of Smallest Set of Smallest Rings (SSSR) RDKit 5
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