Secondary metabolite: Ganoleucoin V Summary Molecular formula: C30H40O9
SMILES: OC[C@@]1(C)C(=O)CC[C@]2([C@H]1CC(=O)C1=C2C(=O)[C@H]([C@]2([C@@]1(C)C(=O)C[C@@H]2C(C(CC=C(C(=O)O)C)O)C)C)O)C InChI: InChI=1S/C30H40O9/c1-14(26(38)39)7-8-17(32)15(2)16-11-21(35)30(6)22-18(33)12-19-27(3,10-9-20(34)28(19,4)13-31)23(22)24(36)25(37)29(16,30)5/h7,15-17,19,25,31-32,37H,8-13H2,1-6H3,(H,38,39)/t15?,16-,17?,19-,25-,27+,28-,29+,30+/m1/s1 InChIKey: UHLCOARQXDMCKI-SEJXEQBJSA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Prenol lipids
Sub class: Triterpenoids
Synonymous chemical names: ganoleucoin v
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 544.64 Log P RDKit 2.2 Topological polar surface area (Å2 ) RDKit 166.27 Number of hydrogen bond acceptors RDKit 8 Number of hydrogen bond donors RDKit 4 Number of carbon atoms RDKit 30 Number of heavy atoms RDKit 39 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 0.3 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 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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