Base information

Cat. No.
CAS No.139459-55-5
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C28H41N3O18
Molecular Weight 707.634
Exact Mass 707.239
XLogP3 -3.9855
Mr 157.084
PSA 321.24
Sequence -
Atom number 90
Bond number 93
Ring number 4
Rotor number 14
Residues number 0
Canonical smiles OC[C@H]1O[C@@H](O[C@H]2[C@@H](O)[C@@H](CO[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3NC(=O)C)O)O)O[C@@H]([C@@H]2NC(=O)C)Oc2ccc(cc2)[N+](=O)[O-])[C@@H]([C@H]([C@H]1O)O)O

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