2-Hydroxy-2-phenylacetonitrile; (R)-form, O-[3-Pyridinecarbonyl-(→6)-β-D-glucopyranosyl-(1→6)-β-D-glucopyranoside]
AlkaPlorer ID: AK301793
Synonym: Prupersin E
IUPAC Name: [6-[[6-[cyano(phenyl)methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl pyridine-3-carboxylate
Structure
SMILES: N#CC(OC1OC(COC2OC(COC(=O)C3=CC=CN=C3)C(O)C(O)C2O)C(O)C(O)C1O)C1=CC=CC=C1
InChI: InChI=1S/C26H30N2O12/c27-9-15(13-5-2-1-3-6-13)38-26-23(34)21(32)19(30)17(40-26)12-37-25-22(33)20(31)18(29)16(39-25)11-36-24(35)14-7-4-8-28-10-14/h1-8,10,15-23,25-26,29-34H,11-12H2
InChIKey: LGPUIKWJKFIAIH-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Prunus davidiana | Prunus | Rosaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 562.5280000000001
TPSA？: 221.28
MolLogP？: -1.848319999999997
Number of H-Donors: 6
Number of H-Acceptors: 14
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|