[(2R,3R)-4-(3,5-Dimethoxy-4-hydroxyphenyl)-3-(hydroxymethyl)-2-(3,5-dimethoxy-4-hydroxybenzyl)butyl]beta-D-xylopyranoside

Base Information

• Chemical Name: [(2R,3R)-4-(3,5-Dimethoxy-4-hydroxyphenyl)-3-(hydroxymethyl)-2-(3,5-dimethoxy-4-hydroxybenzyl)butyl]beta-D-xylopyranoside
• CAS No.: 126882-53-9
• Molecular Formula: C27H38 O12
• Molecular Weight: 554.592
• DSSTox Substance ID: DTXSID001318511
• Nikkaji Number: J258.404B
• Wikidata: Q105278955
• Mol file: 126882-53-9.mol

Synonyms:Ssioriside;126882-53-9;[(2R,3R)-4-(3,5-Dimethoxy-4-hydroxyphenyl)-3-(hydroxymethyl)-2-(3,5-dimethoxy-4-hydroxybenzyl)butyl]beta-D-xylopyranoside;DTXSID001318511;HY-N1216;AKOS032962317;CS-0016603

Chemical Property of [(2R,3R)-4-(3,5-Dimethoxy-4-hydroxyphenyl)-3-(hydroxymethyl)-2-(3,5-dimethoxy-4-hydroxybenzyl)butyl]beta-D-xylopyranoside

Chemical Property:

• PSA: 176.76000
• LogP: 0.59770
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 13
• Exact Mass: 554.23632664
• Heavy Atom Count: 39
• Complexity: 672

Purity/Quality:

99% ^*data from raw suppliers

Ssioriside ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1O)OC)CC(CO)C(CC2=CC(=C(C(=C2)OC)O)OC)COC3C(C(C(CO3)O)O)O
• Isomeric SMILES: COC1=CC(=CC(=C1O)OC)C[C@H](CO)[C@H](CC2=CC(=C(C(=C2)OC)O)OC)CO[C@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O