(2R)-2-{[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy}oxan-3-yl]oxy}-2-phenylacetonitrile
AlkaPlorer ID: AK062162
Synonym: None
IUPAC Name: (2R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-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]1[C@H](O)[C@@H](O)[C@H](OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)O[C@@H]1CO)C1=CC=CC=C1
InChI: InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-18-11(7-22)32-20(17(27)15(18)25)29-8-12-13(23)14(24)16(26)19(28)31-12/h1-5,10-20,22-28H,7-8H2/t10-,11+,12+,13+,14-,15+,16+,17+,18+,19+,20+/m0/s1
InChIKey: YZLOSXFCSIDECK-ROSBSSNUSA-N
Reference
Cyanogenic glycosides and 4-hydroxycoumarin glycosides from Gerbera jamesonii hybrida.
PubChem CID: 163007200
LOTUS: LTS0125483
SuperNatural Ⅲ: SN0464415-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Gerbera jamesonii | Gerbera | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 457.4320000000001
TPSA？: 202.32
MolLogP？: -3.108019999999997
Number of H-Donors: 7
Number of H-Acceptors: 12
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|