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31539-05-6
Catalog No.:AA00BZBG

31539-05-6 | DIGOXIGENIN-TETRA-DIGITOXOSIDE

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Technical Information
Catalog Number:
AA00BZBG
Chemical Name:
DIGOXIGENIN-TETRA-DIGITOXOSIDE
CAS Number:
31539-05-6
Molecular Formula:
C47H74O17
Molecular Weight:
911.0803
SMILES:
O=C1OCC(=C1)[C@H]1CC[C@]2([C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O)O
Properties
Computed Properties
 
Complexity:
1700  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
9  
Heavy Atom Count:
64  
Hydrogen Bond Acceptor Count:
17  
Hydrogen Bond Donor Count:
7  
Rotatable Bond Count:
9  
Undefined Atom Stereocenter Count:
16  
XLogP3:
1.1  

Literature
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SDS
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Tags:31539-05-6 Molecular Formula|31539-05-6 MDL|31539-05-6 SMILES|31539-05-6 DIGOXIGENIN-TETRA-DIGITOXOSIDE