Base information

Cat. No.
CAS No.27539-32-8
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C28H33ClO15
Molecular Weight 645.006
Exact Mass 644.151
XLogP3 -3.4592
Mr 149.838
PSA 241.36
Sequence -
Atom number 77
Bond number 80
Ring number 5
Rotor number 7
Residues number 0
Canonical smiles COc1cc(ccc1O)c1[o+]c2cc(O)cc(c2cc1O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O)O.[Cl-]

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