Violdelphin

Base Information

• Chemical Name: Violdelphin
• CAS No.: 126417-59-2
• Molecular Formula: C53H59 O30
• Molecular Weight: 1176.01756
• DSSTox Substance ID: DTXSID80155183
• Nikkaji Number: J592.762E
• Wikipedia: Violdelphin
• Wikidata: Q7933112
• Mol file: 126417-59-2.mol

Synonyms:delphinidin 3-rutinoside-7-O-(6-O-(4-(6-O-(4-hydroxybenzoyl)-beta-D-glucosyl)oxybenzoyl)-beta-D-glucoside);violdelphin

Chemical Property of Violdelphin

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 491.33000
• Density: g/cm³
• LogP: -3.86750
• Hydrogen Bond Donor Count: 17
• Hydrogen Bond Acceptor Count: 29
• Rotatable Bond Count: 18
• Exact Mass: 1175.30911546
• Heavy Atom Count: 83
• Complexity: 2060

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC4=C(C=C(C=C4[O+]=C3C5=CC(=C(C(=C5)O)O)O)OC6C(C(C(C(O6)COC(=O)C7=CC=C(C=C7)OC8C(C(C(C(O8)COC(=O)C9=CC=C(C=C9)O)O)O)O)O)O)O)O)O)O)O)O)O)O
• Isomeric SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC4=C(C=C(C=C4[O+]=C3C5=CC(=C(C(=C5)O)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)COC(=O)C7=CC=C(C=C7)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)COC(=O)C9=CC=C(C=C9)O)O)O)O)O)O)O)O)O)O)O)O)O)O