(2R)-2-methyl-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]butanenitrile
AlkaPlorer ID: AK193895
Synonym: None
IUPAC Name: (2R)-2-methyl-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]butanenitrile
Structure
SMILES: CC[C@](C)(C#N)[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
InChI: InChI=1S/C17H29NO10/c1-3-17(2,6-18)15-13(24)11(22)10(21)8(27-15)5-26-16-14(25)12(23)9(20)7(4-19)28-16/h7-16,19-25H,3-5H2,1-2H3/t7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17-/m1/s1
InChIKey: HNEHIAKMTHNOMH-DOVWMIEDSA-N
Reference
Linamarin, lotaustralin, linustatin and neolinustatin from Passiflora species
PubChem CID: 162989376
LOTUS: LTS0077714
SuperNatural Ⅲ: SN0130160-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Passiflora morifolia | Passiflora | Passifloraceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 407.416
TPSA？: 193.09
MolLogP？: -3.4071199999999977
Number of H-Donors: 7
Number of H-Acceptors: 11
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|