Cassiaside B

Base Information

• Chemical Name: Cassiaside B
• CAS No.: 119170-51-3
• Molecular Formula: C₂₆H₃₀O₁₄
• Molecular Weight: 566.516
• DSSTox Substance ID: DTXSID101108365
• Nikkaji Number: J1.608.689D
• Wikidata: Q105180005
• Mol file: 119170-51-3.mol

Synonyms:Cassiaside B;CassiasideB;119170-51-3;CHEBI:197161;DTXSID101108365;HY-N8148;AKOS040760312;CS-0140206;6-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-8-methoxy-2-methylbenzo[g]chromen-4-one;6-[(6-O-D-APio-|A-D-furanosyl-|A-D-glucopyranosyl)oxy]-5-hydroxy-8-methoxy-2-methyl-4H-naphtho[2,3-b]pyran-4-one;6-[(6-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-8-methoxy-2-methyl-4H-naphtho[2,3-b]pyran-4-one

Chemical Property of Cassiaside B

Chemical Property:

• XLogP3: -0.6
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 7
• Exact Mass: 566.16355563
• Heavy Atom Count: 40
• Complexity: 946

Purity/Quality:

≥98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=O)C2=C(C3=C(C=C(C=C3C=C2O1)OC)OC4C(C(C(C(O4)COC5C(C(CO5)(CO)O)O)O)O)O)O
• Isomeric SMILES: CC1=CC(=O)C2=C(C3=C(C=C(C=C3C=C2O1)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@](CO5)(CO)O)O)O)O)O)O