Secondary metabolite: (S)-malic acid-1-o-beta-d-glucopyranoside Summary Molecular formula: C10H16O10
SMILES: OCC1OC(O[C@H](C(=O)O)CC(=O)O)C(C(C1O)O)O InChI: InChI=1S/C10H16O10/c11-2-4-6(14)7(15)8(16)10(20-4)19-3(9(17)18)1-5(12)13/h3-4,6-8,10-11,14-16H,1-2H2,(H,12,13)(H,17,18)/t3-,4?,6?,7?,8?,10?/m0/s1 InChIKey: OCIAPZWBJQRATB-AMRFRDDCSA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Fatty Acyls
Sub class: Fatty acyl glycosides
Synonymous chemical names: (s)-malic acid-1-o-beta-d-glucopyranoside
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 296.23 Log P RDKit -3.27 Topological polar surface area (Å2 ) RDKit 173.98 Number of hydrogen bond acceptors RDKit 8 Number of hydrogen bond donors RDKit 6 Number of carbon atoms RDKit 10 Number of heavy atoms RDKit 20 Number of heteroatoms RDKit 10 Number of nitrogen atoms RDKit 0 Number of sulfur atoms RDKit 0 Number of chiral carbon atoms RDKit 6 Stereochemical complexity RDKit 0.6 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 2 Number of sp3 hybridized carbon atoms RDKit 8 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.8 Shape complexity RDKit 0.8 Number of rotatable bonds SwissADME 6 Number of aliphatic carbocycles RDKit 0 Number of aliphatic heterocycles RDKit 1 Number of aliphatic rings RDKit 1 Number of aromatic carbocycles RDKit 0 Number of aromatic heterocycles RDKit 0 Number of aromatic rings RDKit 0 Total number of rings RDKit 1 Number of saturated carbocycles RDKit 0 Number of saturated heterocycles RDKit 1 Number of saturated rings RDKit 1 Number of Smallest Set of Smallest Rings (SSSR) RDKit 1
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