Base information

Cat. No.
CAS No.78432-77-6
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C45H49NO13
Molecular Weight 811.869
Exact Mass 811.32
XLogP3 3.5558
Mr 209.222
PSA 215.22
Sequence -
Atom number 108
Bond number 114
Ring number 7
Rotor number 13
Residues number 0
Canonical smiles CC(=O)O[C@@]12CO[C@@H]1C[C@@H]([C@@]1([C@@H]2[C@H](OC(=O)c2ccccc2)[C@@]2(O)C[C@H](OC(=O)[C@@H]([C@H](c3ccccc3)NC(=O)c3ccccc3)O)C(=C(C2(C)C)[C@H](C1=O)O)C)C)O

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