Brachynoside

Base Information

• Chemical Name: Brachynoside
• CAS No.: 145898-87-9
• Molecular Formula: C₃₁H₄₀O₁₅
• Molecular Weight: 652.65
• DSSTox Substance ID: DTXSID501347709
• Nikkaji Number: J484.108E
• Wikidata: Q105327369
• Mol file: 145898-87-9.mol

Synonyms:Brachynoside;145898-87-9;[(2R,3R,4R,5R,6R)-6-[2-(3,4-dimethoxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate;DTXSID501347709;AKOS040735799;FS-8025;2-(3,4-Dimethoxyphenyl)ethyl 3-O-alpha-L-rhamnopyranosyl-4-O-(3,4-dihydroxy-trans-cinnamoyl)-beta-D-glucopyranoside

Chemical Property of Brachynoside

Chemical Property:

• XLogP3: 0.1
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 13
• Exact Mass: 652.23672056
• Heavy Atom Count: 46
• Complexity: 968

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)CO)OCCC4=CC(=C(C=C4)OC)OC)O)O)O)O
• Isomeric SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C=C/C3=CC(=C(C=C3)O)O)CO)OCCC4=CC(=C(C=C4)OC)OC)O)O)O)O