Molecule

supinanitriloside E

AlkaPlorer ID: AK172934

Synonym: None

IUPAC Name: [(2R,3S,4S,5R,6S)-6-(1-cyano-2-methylpropan-2-yl)oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

Structure

SMILES: CC(C)(CC#N)O[C@@H]1O[C@H](COC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@H](O)[C@H](O)[C@H]1O

InChI: InChI=1S/C18H23NO10/c1-18(2,3-4-19)29-17-15(25)14(24)13(23)11(28-17)7-27-16(26)8-5-9(20)12(22)10(21)6-8/h5-6,11,13-15,17,20-25H,3,7H2,1-2H3/t11-,13-,14+,15-,17+/m1/s1

InChIKey: MYSVOCSUKUWQBN-AQFIFQLPSA-N

Reference

Supinaionosides A and B: Megastigmane Glucosides and Supinanitrilosides A-F: Hydroxynitrile Glucosides from the Whole Plants of Euphorbia supina RAFINESQUE

PubChem CID: 44203311

LOTUS: LTS0007338

SuperNatural Ⅲ: SN0238957-01

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Euphorbia maculata	Euphorbia	Euphorbiaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 413.3790000000001

TPSA？: 189.93

MolLogP？: -0.5233199999999999

Number of H-Donors: 6

Number of H-Acceptors: 11

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi