Base information

Cat. No.
CAS No.144432-23-5
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C44H71NO13
Molecular Weight 822.033
Exact Mass 821.493
XLogP3 3.5313
Mr 223.656
PSA 209.59
Sequence -
Atom number 129
Bond number 131
Ring number 3
Rotor number 7
Residues number 0
Canonical smiles C=CC[C@@H]1/C=C(/C)\C[C@H](C)C[C@H](OC)[C@@H](O)[C@@H](OC)C[C@@H](C)C(=O)C(C(=O)N2[C@H](C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]1CC[C@H]([C@@H](C1)OC)O)/C)CCCC2)(O)O

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