Desglucodigitonin

Base Information

• Chemical Name: Desglucodigitonin
• CAS No.: 73205-29-5
• Molecular Formula: C50H82 O24
• Molecular Weight: 1067.17
• Mol file: 73205-29-5.mol

Synonyms:Desglucodigitonin;Digitonin, desgluco-;73205-29-5;beta-D-Galactopyranoside, (2-alpha,3-beta,5-alpha,15-beta,25R)-2,15-dihydroxyspirostan-3-yl O-beta-D-galactopyranosyl-(1-2)-O-(beta-D-xylopyranosyl-(1-3))-O-beta-D-glucopyranosyl-(1-4)-;C50H82O24;C50-H82-O24;LS-71512

Chemical Property of Desglucodigitonin

Chemical Property:

• PSA: 375.52000
• LogP: -4.32870
• XLogP3: -2.3
• Hydrogen Bond Donor Count: 15
• Hydrogen Bond Acceptor Count: 24
• Rotatable Bond Count: 10
• Exact Mass: 1066.51960348
• Heavy Atom Count: 74
• Complexity: 1940

Purity/Quality:

DESGLUCODIGITONIN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC2(C(C3C(O2)C(C4C3(CCC5C4CCC6C5(CC(C(C6)C7(C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)C)C)O)C)OC1
• Isomeric SMILES: C[C@@H]1CCC2([C@H]([C@H]3[C@@H](O2)[C@H](C4[C@@]3(CCC5C4CCC6[C@@]5(CC(C(C6)[C@@]7([C@@H]([C@H]([C@H]([C@@H](O7)CO)O)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)C)C)O)C)OC1