4-Hydroxybenzoic acid; Nitrile, O-[β-D-xylopyranosyl-(1→6)-β-D-glucopyranoside] 

AlkaPlorer ID: AK300852

Synonym: None

IUPAC Name: None

Structure

SMILES: N#CC1=CC=C(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)C=C1

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InChI: InChI=1S/C18H23NO10/c19-5-8-1-3-9(4-2-8)28-18-16(25)14(23)13(22)11(29-18)7-27-17-15(24)12(21)10(20)6-26-17/h1-4,10-18,20-25H,6-7H2

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InChIKey: CINLFBZLZVRIFX-UHFFFAOYSA-N

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Reference

CAS: 950598-21-7

Properties Information

Molecule Weight: 413.379

TPSA: 182.09

MolLogP: -2.799719999999999

Number of H-Donors: 6

Number of H-Acceptors: 11

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information