Base information

Cat. No.
CAS No.80396-57-2
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C36H42O19
Molecular Weight 778.707
Exact Mass 778.232
XLogP3 -2.9359
Mr 178.349
PSA 286.89
Sequence -
Atom number 97
Bond number 102
Ring number 6
Rotor number 13
Residues number 0
Canonical smiles OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@H]3[C@H]2[C@@]2(C=C3)C=C(C(=O)O2)[C@@H](OC(=O)/C=C/c2ccc(cc2)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)C)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O

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