Base information

Cat. No.
CAS No.67724-08-7
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C157H244N6O50
Molecular Weight 3015.63
Exact Mass 3013.67
XLogP3 12.8984
Mr 790.058
PSA 713.34
Sequence -
Atom number 457
Bond number 469
Ring number 16
Rotor number 42
Residues number 0
Canonical smiles OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=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]1O[C@@H](C)[C@@H]([C@](C1)(C)O)O)OC)OC(=O)CC)C)O[C@@H]1CC[C@@H]([C@H](O1)C)N(C)C.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)OC(=O)C)C)O[C@@H]1CC[C@@H]([C@H](O1)C)N(C)C.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)O[C@@H]1CC[C@@H]([C@H](O1)C)N(C)C

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