Base information

Cat. No.
CAS No.68880-55-7
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C49H84N2O18
Molecular Weight 989.194
Exact Mass 988.572
XLogP3 3.0411
Mr 253.468
PSA 269.98
Sequence -
Atom number 153
Bond number 155
Ring number 4
Rotor number 16
Residues number 0
Canonical smiles OC(=O)CCCCC(=O)O.O=CC[C@H]1C[C@@H](C)[C@H](/C=C/C=C/C[C@H](OC(=O)C[C@H]([C@@H]([C@H]1O[C@@H]1O[C@H](C)[C@H]([C@@H]([C@H]1O)N(C)C)O[C@H]1C[C@@](C)(O)[C@H]([C@@H](O1)C)O)OC)O)C)OC1CC[C@@H]([C@H](O1)C)N(C)C

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