(2R)-2-{[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-phenylacetonitrile
AlkaPlorer ID: AK080203
Synonym: None
IUPAC Name: (2R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-phenylacetonitrile
Structure
SMILES: N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C1=CC=CC=C1
InChI: InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)29-20-18(16(27)14(25)12(8-23)31-20)32-19-17(28)15(26)13(24)11(7-22)30-19/h1-5,10-20,22-28H,7-8H2/t10-,11+,12+,13+,14+,15-,16-,17+,18+,19-,20+/m0/s1
InChIKey: YGHHWSRCTPQFFC-YSCNKMLASA-N
Reference
Cyanogenic glycosides in leaves of Perilla frutescens var. acuta
PubChem CID: 123133484
LOTUS: LTS0169902
SuperNatural Ⅲ: SN0449605-01
NPASS: NPC116140
Source
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
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