2-Hydroxy-2-phenylacetonitrile; (S)-form, O-[β-D-Apiofuranosyl-(1→2)-β-D-glucopyranoside]
AlkaPlorer ID: AK092007
Synonym: None
IUPAC Name: 2-[3-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-phenylacetonitrile
Structure
SMILES: N#CC(OC1OC(CO)C(O)C(O)C1OC1OCC(O)(CO)C1O)C1=CC=CC=C1
InChI: InChI=1S/C19H25NO10/c20-6-11(10-4-2-1-3-5-10)28-17-15(14(24)13(23)12(7-21)29-17)30-18-16(25)19(26,8-22)9-27-18/h1-5,11-18,21-26H,7-9H2
InChIKey: UXSSAGLYQCOTML-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Sambucus nigra | Sambucus | Adoxaceae | Dipsacales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 427.4060000000002
TPSA？: 182.09
MolLogP？: -2.4673199999999973
Number of H-Donors: 6
Number of H-Acceptors: 11
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|