Secondary metabolite: 20-Hydroxylucidenic acid P Summary Molecular formula: C29H42O9
SMILES: CC(=O)O[C@@H]1C(=O)C2=C([C@]3([C@@]1(C)[C@H](CC3=O)C(CCC(=O)O)(O)C)C)[C@@H](O)C[C@@H]1[C@]2(C)CC[C@@H](C1(C)C)O InChI: InChI=1S/C29H42O9/c1-14(30)38-24-23(36)22-21(15(31)12-16-25(2,3)18(32)8-10-26(16,22)4)29(7)19(33)13-17(28(24,29)6)27(5,37)11-9-20(34)35/h15-18,24,31-32,37H,8-13H2,1-7H3,(H,34,35)/t15-,16-,17+,18-,24+,26-,27?,28-,29-/m0/s1 InChIKey: FFMHRFMHJKVBHE-OOLUJHIHSA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Prenol lipids
Sub class: Triterpenoids
Synonymous chemical names: 20-hydroxylucidenic acid p
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 534.65 Log P RDKit 2.58 Topological polar surface area (Å2 ) RDKit 158.43 Number of hydrogen bond acceptors RDKit 8 Number of hydrogen bond donors RDKit 4 Number of carbon atoms RDKit 29 Number of heavy atoms RDKit 38 Number of heteroatoms RDKit 9 Number of nitrogen atoms RDKit 0 Number of sulfur atoms RDKit 0 Number of chiral carbon atoms RDKit 9 Stereochemical complexity RDKit 0.31 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 6 Number of sp3 hybridized carbon atoms RDKit 23 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.79 Shape complexity RDKit 0.79 Number of rotatable bonds SwissADME 6 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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