Rhodalidin

Base Information

• Chemical Name: Rhodalidin
• CAS No.: 94696-37-4
• Molecular Formula: C₂₆H₂₈O₁₆
• Molecular Weight: 596.499
• UNII: B3O599Q1UA
• DSSTox Substance ID: DTXSID401346053
• Nikkaji Number: J2.305.529E
• Mol file: 94696-37-4.mol

Synonyms:Rhodalidin;UNII-B3O599Q1UA;B3O599Q1UA;94696-37-4;4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(beta-D-xylopyranosyloxy)-;DTXSID401346053;Q27274316;4H-1-BENZOPYRAN-4-ONE, 3-(.BETA.-D-GLUCOPYRANOSYLOXY)-5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-8-(.BETA.-D-XYLOPYRANOSYLOXY)-

Chemical Property of Rhodalidin

Chemical Property:

• XLogP3: -1.4
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 6
• Exact Mass: 596.13773480
• Heavy Atom Count: 42
• Complexity: 985

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C(C(C(O1)OC2=C(C=C(C3=C2OC(=C(C3=O)OC4C(C(C(C(O4)CO)O)O)O)C5=CC=C(C=C5)O)O)O)O)O)O
• Isomeric SMILES: C1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C(C=C(C3=C2OC(=C(C3=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C5=CC=C(C=C5)O)O)O)O)O)O