2-Hydroxy-2-phenylacetonitrile; (R)-form, O-[5-O-Benzoyl-β-D-apiofuranosyl-(1→6)-β-D-glucopyranoside]
AlkaPlorer ID: AK301782
Synonym: 5''-O-Benzoyloxyanthin
IUPAC Name: [5-[[6-[cyano(phenyl)methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4-dihydroxyoxolan-3-yl]methyl benzoate
Structure
SMILES: N#CC(OC1OC(COC2OCC(O)(COC(=O)C3=CC=CC=C3)C2O)C(O)C(O)C1O)C1=CC=CC=C1
InChI: InChI=1S/C26H29NO11/c27-11-17(15-7-3-1-4-8-15)37-24-21(30)20(29)19(28)18(38-24)12-34-25-22(31)26(33,14-36-25)13-35-23(32)16-9-5-2-6-10-16/h1-10,17-22,24-25,28-31,33H,12-14H2
InChIKey: VQRFNQHZPFHUSV-UHFFFAOYSA-N
Reference
Cyanogenic glycosides from PS Psydrax and Oxyanthus species[a/t]
PubChem CID: 162996560
LOTUS: LTS0184793
COCONUT: CNP0269962.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Psydrax livida | Psydrax | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Oxyanthus pyriformis | Oxyanthus | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 531.5140000000001
TPSA？: 188.16
MolLogP？: -0.6026199999999993
Number of H-Donors: 5
Number of H-Acceptors: 12
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|