Cascaroside B

Base Information

• Chemical Name: Cascaroside B
• CAS No.: 53861-34-0
• Molecular Formula: C27H32O14
• Molecular Weight: 580.53458
• UNII: 39GRF8ND7D
• DSSTox Substance ID: DTXSID501317649
• Nikkaji Number: J562.269G
• Wikidata: Q27149788
• Mol file: 53861-34-0.mol

Synonyms:Cascaroside B;(-)-Cascaroside B;53861-34-0;UNII-39GRF8ND7D;39GRF8ND7D;9(10H)-Anthracenone, 10-beta-D-glucopyranosyl-8-(beta-D-glucopyranosyloxy)-1-hydroxy-3-(hydroxymethyl)-, (10R)-;(10R)-1-hydroxy-3-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10H-anthracen-9-one;CHEBI:80736;DTXSID501317649;CASCAROSIDE B (CONSTITUENT OF CASCARA SAGRADA);Q27149788;CASCAROSIDE B (CONSTITUENT OF CASCARA SAGRADA) [DSC];9(10H)-ANTHRACENONE, 10-.BETA.-D-GLUCOPYRANOSYL-8-(.BETA.-D-GLUCOPYRANOSYLOXY)-1-HYDROXY-3-(HYDROXYMETHYL)-, (10R)-

Chemical Property of Cascaroside B

Chemical Property:

• PSA: 247.06000
• LogP: -3.41810
• XLogP3: -1.9
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 6
• Exact Mass: 580.17920569
• Heavy Atom Count: 41
• Complexity: 907

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C4=C(C2C5C(C(C(C(O5)CO)O)O)O)C=C(C=C4O)CO
• Isomeric SMILES: C1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C4=C([C@@H]2[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C=C(C=C4O)CO