Erychroside

Base Information

• Chemical Name: Erychroside
• CAS No.: 630-65-9
• Molecular Formula: C34H50O13
• Molecular Weight: 666.753
• DSSTox Substance ID: DTXSID30978889
• Wikidata: Q82964375
• ChEMBL ID: CHEMBL393052
• Mol file: 630-65-9.mol

Synonyms:Erychroside;Erichroside;Strophanthidin, 3-(4-O-beta-D-xylosyl-beta-D-digitoxoside);630-65-9;Card-20(22)-enolide, 3-((2,6-dideoxy-4-O-beta-D-xylopyranosyl-beta-D-ribo-hexopyranosyl)oxy)-5,14-dihydroxy-19-oxo-, (3-beta,5-beta)-;CHEMBL393052;DTXSID30978889;3-[(2,6-dideoxy-4-O-pentopyranosylhexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide;LS-52412

Chemical Property of Erychroside

Chemical Property:

• Vapor Pressure: 2.02E-35mmHg at 25°C
• Melting Point: 242 - 248 °C
• Boiling Point: 871°Cat760mmHg
• PKA: 13.00±0.70(Predicted)
• Flash Point: 273.6°C
• PSA: 201.67000
• Density: 1.44g/cm³
• LogP: 0.24250
• XLogP3: -1.2
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 6
• Exact Mass: 666.32514165
• Heavy Atom Count: 47
• Complexity: 1260

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1C(C(CC(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)C=O)O)OC7C(C(C(CO7)O)O)O
• Isomeric SMILES: C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)C=O)O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O