Base information

Cat. No.
CAS No.612069-31-5
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C44H76N2O14S
Molecular Weight 889.144
Exact Mass 888.502
XLogP3 3.9869
Mr 233.552
PSA 222.6
Sequence -
Atom number 137
Bond number 140
Ring number 4
Rotor number 9
Residues number 0
Canonical smiles CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(S(=O)(=O)c2ccc(cc2)C)C)[C@](C[C@H](CN([C@@H]([C@H]([C@]1(C)O)O)C)C)C)(C)O

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