Base information

Cat. No.
CAS No.1407-03-0
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C42H65NO16
Molecular Weight 839.963
Exact Mass 839.43
XLogP3 2.5695
Mr 207.568
PSA 270.28
Sequence -
Atom number 124
Bond number 129
Ring number 7
Rotor number 7
Residues number 0
Canonical smiles O[C@@H]1[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)[C@H](O[C@@H]([C@H]1O)C(=O)O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2C(=O)C=C2[C@@]1(C)CC[C@@]1([C@H]2C[C@](C)(CC1)C(=O)O)C)C)C.N

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