Delphinidin 3,5-diglucoside

Base Information

• Chemical Name: Delphinidin 3,5-diglucoside
• CAS No.: 47851-70-7
• Molecular Formula: C₂₇H₃₁O₁₇
• Molecular Weight: 627.533
• DSSTox Substance ID: DTXSID901341527
• Nikkaji Number: J238.030G
• Wikidata: Q27124306
• Metabolomics Workbench ID: 44510
• Mol file: 47851-70-7.mol

Synonyms:Delphinidin 3,5-diglucoside;DELPHIN;Delphinidin 3,5-O-diglucoside;delphinidin 3-O-beta-D-glucoside-5-O-beta-D-glucoside;(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[7-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromenylium-5-yl]oxyoxane-3,4,5-triol;Delphinidin-3,5-O-diglucoside chloride;Hyacin;Delphoside?;Aurobanin A;C.I. Natural blue;CHEBI:55455;DTXSID901341527;47851-70-7;Q27124306;3',4',5',7-Tetrahydroxy-3,5-bis(beta-D-glucopyranosyloxy)flavylium;3-(beta-D-glucopyranosyloxy)-7-hydroxy-2-(3,4,5-trihydroxyphenyl)chromenium-5-yl beta-D-glucopyranoside;7-hydroxy-3,5-bis({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-2-(3,4,5-trihydroxyphenyl)-1$l^{4}-chromen-1-ylium

Chemical Property of Delphinidin 3,5-diglucoside

Chemical Property:

• Hydrogen Bond Donor Count: 12
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 7
• Exact Mass: 627.15612452
• Heavy Atom Count: 44
• Complexity: 919

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1O)O)O)C2=C(C=C3C(=CC(=CC3=[O+]2)O)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O
• Isomeric SMILES: C1=C(C=C(C(=C1O)O)O)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O