Base information

Cat. No.
CAS No.145919-39-7
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C52H55O27+
Molecular Weight 1111.98
Exact Mass 1111.29
XLogP3 -0.6667
Mr 264.059
PSA 433.8
Sequence -
Atom number 134
Bond number 141
Ring number 8
Rotor number 19
Residues number 0
Canonical smiles OC[C@H]1O[C@@H](Oc2cc(O)cc3c2cc(O[C@@H]2O[C@H](COC(=O)/C=C/c4ccc(c(c4)O)O)[C@H]([C@@H]([C@H]2O[C@@H]2O[C@H](COC(=O)/C=C/c4ccc(c(c4)O)O)[C@H]([C@@H]([C@H]2O)O)O)O)O)c([o+]3)c2ccc(c(c2)OC)O)[C@@H]([C@H]([C@@H]1O)O)O

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