Base information

Cat. No.
CAS No.2095621-31-9
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C45H36O18
Molecular Weight 864.757
Exact Mass 864.19
XLogP3 4.2424
Mr 216.522
PSA 320.14
Sequence -
Atom number 99
Bond number 108
Ring number 10
Rotor number 4
Residues number 0
Canonical smiles Oc1cc(O)c2c(c1)O[C@@]1([C@@H]([C@H]2c2c(O1)cc(c1c2O[C@H](c2ccc(c(c2)O)O)[C@@H]([C@H]1c1c(O)cc2c(c1O)C[C@@H]([C@H](O2)c1ccc(c(c1)O)O)O)O)O)O)c1ccc(c(c1)O)O

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