Base information

Cat. No.
CAS No.108050-54-0
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C46H80N2O13
Molecular Weight 869.133
Exact Mass 868.566
XLogP3 3.2793
Mr 236.181
PSA 186.15
Sequence -
Atom number 141
Bond number 144
Ring number 4
Rotor number 12
Residues number 0
Canonical smiles CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@H]([C@@H]([C@H]2O)N(C)C)O)[C@@H](CCN2C[C@H](C)C[C@@H](C2)C)C[C@H](C(=O)/C=C/C(=C/[C@@H]1CO[C@@H]1O[C@H](C)[C@H]([C@H]([C@H]1OC)OC)O)/C)C

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