(2R)-2-phenyl-2-{[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}acetonitrile
AlkaPlorer ID: AK049198
Synonym: None
IUPAC Name: (2R)-2-phenyl-2-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyacetonitrile
Structure
SMILES: N#C[C@H](O[C@H]1[C@H](O)[C@@H](O)[C@H](O)O[C@@H]1CO)C1=CC=CC=C1
InChI: InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-13-10(7-16)21-14(19)12(18)11(13)17/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12+,13+,14+/m0/s1
InChIKey: BMXNUTUYWQWEFA-YHBOFVJASA-N
Reference
Cyanogenic glycosides and 4-hydroxycoumarin glycosides from Gerbera jamesonii hybrida.
PubChem CID: 163088158
LOTUS: LTS0226725
SuperNatural Ⅲ: SN0029901-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Gerbera jamesonii | Gerbera | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 295.291
TPSA？: 123.17000000000002
MolLogP？: -0.9322200000000004
Number of H-Donors: 4
Number of H-Acceptors: 7
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|