Base information

Cat. No.
CAS No.1393-72-2
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C32H31NaO14
Molecular Weight 662.57
Exact Mass 662.161
XLogP3 1.808
Mr 158.758
PSA 210.55
Sequence -
Atom number 78
Bond number 83
Ring number 7
Rotor number 5
Residues number 0
Canonical smiles CO[C@@H]1[C@@H](O)[C@@H](O[C@H]2[C@@H](O[C@@H]([C@@H]([C@@H]2O)O)C)Oc2cccc3c2c2oc(=O)c4c5c2c(c3[O-])c(=O)oc5ccc4C)O[C@@H]([C@@H]1O)C.[Na+]

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