Molecule

2-Hydroxy-2-methylbutanoic acid; (R)-form, Nitrile, O-[3,4,5-trihydroxybenzoyl-(→6)-β-D-glucopyranoside]

AlkaPlorer ID: AK301423

Synonym: 6'-Galloyllotaustralin, Supinanitriloside C

IUPAC Name: [6-(2-cyanobutan-2-yloxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

Structure

SMILES: CCC(C)(C#N)OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O

InChI: InChI=1S/C18H23NO10/c1-3-18(2,7-19)29-17-15(25)14(24)13(23)11(28-17)6-27-16(26)8-4-9(20)12(22)10(21)5-8/h4-5,11,13-15,17,20-25H,3,6H2,1-2H3

InChIKey: YXKBRNIKHXJLDU-UHFFFAOYSA-N

Reference

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

PubChem CID: 74950335

LOTUS: LTS0250398

COCONUT: CNP0266314.1

Source

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

Properties Information

Molecule Weight: 413.379

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