(2R)-2-{[(3S,4R,5R,6R)-4,5-dihydroxy-6-{[(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy}oxan-3-yl]oxy}-2-phenylacetonitrile
AlkaPlorer ID: AK247629
Synonym: None
IUPAC Name: (2R)-2-[(3S,4R,5R,6R)-4,5-dihydroxy-6-[[(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxan-3-yl]oxy-2-phenylacetonitrile
Structure
SMILES: N#C[C@H](O[C@H]1CO[C@H](OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O)C1=CC=CC=C1
InChI: InChI=1S/C19H25NO10/c20-6-10(9-4-2-1-3-5-9)29-11-7-27-19(17(25)14(11)22)28-8-12-13(21)15(23)16(24)18(26)30-12/h1-5,10-19,21-26H,7-8H2/t10-,11-,12+,13+,14-,15-,16+,17+,18+,19+/m0/s1
InChIKey: DZJLRANKGDFPKD-ULGYWACXSA-N
Reference
Cyanogenic glycosides and 4-hydroxycoumarin glycosides from Gerbera jamesonii hybrida.
PubChem CID: 162887618
LOTUS: LTS0038180
SuperNatural Ⅲ: SN0079591-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Gerbera jamesonii | Gerbera | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 427.40600000000006
TPSA？: 182.09
MolLogP？: -2.468919999999997
Number of H-Donors: 6
Number of H-Acceptors: 11
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|