Molecule

supinanitriloside D

AlkaPlorer ID: AK088955

Synonym: None

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

Structure

SMILES: C[C@H](C#N)[C@H](C)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/c1-7(5-19)8(2)28-18-16(25)15(24)14(23)12(29-18)6-27-17(26)9-3-10(20)13(22)11(21)4-9/h3-4,7-8,12,14-16,18,20-25H,6H2,1-2H3/t7-,8+,12-,14-,15+,16-,18-/m1/s1

InChIKey: BJSQAZHGKQFORZ-QIOUAWMYSA-N

Reference

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

PubChem CID: 162926272

LOTUS: LTS0124455

SuperNatural Ⅲ: SN0027464-03

Source

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

Properties Information

Molecule Weight: 413.379

TPSA？: 189.93

MolLogP？: -0.6674200000000003

Number of H-Donors: 6

Number of H-Acceptors: 11

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi