beta-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 3-O-(6-deoxy-alpha-L-mannopyranosyl)-, 4-[3-(3,4-dihydroxyphenyl)-2-propenoate]

Base Information

• Chemical Name: beta-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 3-O-(6-deoxy-alpha-L-mannopyranosyl)-, 4-[3-(3,4-dihydroxyphenyl)-2-propenoate]
• CAS No.: 166019-50-7
• Molecular Formula: C₂₉H₃₆O₁₅
• Molecular Weight: 624.596
• DSSTox Substance ID: DTXSID001103843
• Mol file: 166019-50-7.mol

Synonyms:DTXSID001103843;AKOS032962034;166019-50-7;beta-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 3-O-(6-deoxy-alpha-L-mannopyranosyl)-, 4-[3-(3,4-dihydroxyphenyl)-2-propenoate]

Chemical Property of beta-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 3-O-(6-deoxy-alpha-L-mannopyranosyl)-, 4-[3-(3,4-dihydroxyphenyl)-2-propenoate]

Chemical Property:

• XLogP3: -0.5
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 11
• Exact Mass: 624.20542044
• Heavy Atom Count: 44
• Complexity: 936

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

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)O)O)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=CC3=CC(=C(C=C3)O)O)CO)OCCC4=CC(=C(C=C4)O)O)O)O)O)O