Base information

Cat. No.
CAS No.71610-00-9
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C45H53NO14
Molecular Weight 831.901
Exact Mass 831.347
XLogP3 3.779
Mr 213.005
PSA 221.29
Sequence -
Atom number 113
Bond number 118
Ring number 6
Rotor number 15
Residues number 0
Canonical smiles C/C=C(/C(=O)N[C@H]([C@H](C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@@H]([C@]3(C(=O)[C@@H](C(=C1C)C2(C)C)OC(=O)C)C)O)OC(=O)C)O)c1ccccc1)\C

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