[(3S,4R,5R)-5-{[(2R,3S,4S,5R,6R)-6-[(R)-cyano(phenyl)methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy}-3,4-dihydroxyoxolan-3-yl]methyl benzoate
AlkaPlorer ID: AK242291
Synonym: None
IUPAC Name: [(3S,4R,5R)-5-[[(2R,3S,4S,5R,6R)-6-[(R)-cyano(phenyl)methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4-dihydroxyoxolan-3-yl]methyl benzoate
Structure
SMILES: N#C[C@H](O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(COC(=O)C3=CC=CC=C3)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)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/t17-,18+,19+,20-,21+,22-,24+,25+,26+/m0/s1
InChIKey: VQRFNQHZPFHUSV-BYQUYGEWSA-N
Reference
Cyanogenic glycosides from PS Psydrax and Oxyanthus species[a/t]
PubChem CID: 162996561
LOTUS: LTS0047090
SuperNatural Ⅲ: SN0397495-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Psydrax livida | Psydrax | 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 |
|---|