Molecule

supinanitriloside B

AlkaPlorer ID: AK172926

Synonym: None

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

Structure

SMILES: CC[C@@H](C#N)CO[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/c1-2-8(5-19)6-28-18-16(25)15(24)14(23)12(29-18)7-27-17(26)9-3-10(20)13(22)11(21)4-9/h3-4,8,12,14-16,18,20-25H,2,6-7H2,1H3/t8-,12+,14+,15-,16+,18+/m0/s1

InChIKey: QQCPAPQLZRXCKK-TVTSJZQNSA-N

Reference

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

PubChem CID: 162858664

LOTUS: LTS0268221

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？: -0.6658200000000001

Number of H-Donors: 6

Number of H-Acceptors: 11

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi