Multiflorin B

Base Information

• Chemical Name: Multiflorin B
• CAS No.: 52657-01-9
• DSSTox Substance ID: DTXSID101317792
• Nikkaji Number: J1.243.549E
• Wikidata: Q27155153
• Metabolomics Workbench ID: 139984
• ChEMBL ID: CHEMBL503913
• Mol file: 52657-01-9.mol

Synonyms:Multiflorin B;52657-01-9;CHEBI:81208;4H-1-Benzopyran-4-one, 3-[(6-deoxy-4-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-;CHEMBL503913;DTXSID101317792;C17600;Q27155153;kaempferol-3-O-alpha-L-rhamnopyranosyl-(1->4)-beta-D-glucopyranoside;5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl 6-deoxy-4-O-beta-D-glucopyranosyl-alpha-L-mannopyranoside

Chemical Property of Multiflorin B

Chemical Property:

• XLogP3: -0.4
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 6
• Exact Mass: 594.15847025
• Heavy Atom Count: 42
• Complexity: 985

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)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)O)OC5C(C(C(C(O5)CO)O)O)O
• Isomeric SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O

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