Base information

Cat. No.
CAS No.27894-81-1
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C32H39NO19S
Molecular Weight 773.712
Exact Mass 773.184
XLogP3 1.8298
Mr 175.182
PSA 282.91
Sequence -
Atom number 92
Bond number 94
Ring number 3
Rotor number 21
Residues number 0
Canonical smiles CC(=O)OC[C@H]1O[C@@H](Sc2ccc(cc2)[N+](=O)[O-])[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@H](COC(=O)C)[C@@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

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