COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL012336
Chemical Name: 2-[(2S,6aS,12aS)-8,9-dimethoxy-6-oxo-1,2,6,6a,12,12a-hexahydrochromeno[3,4-b]furo[2,3-h]chromen-2-yl]prop-2-en-1-yl6-O-alpha-L-arabinopyranosyl-alpha-L-idopyranoside
Smiles: COc1cc2c(cc1OC)OCC1C2C(=O)c2c(O1)c1C[C@H](Oc1cc2)C(=C)CO[C@@H]1O[C@@H](CO[C@@H]2OC[C@@H]([C@@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O

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Saltdata: HBr
Molecular Weight: 704.68
Empirical Formula: C34H40O16

Physical State: Dry powder
Available Amount: 1505 mg

Lipinsky:
logP: 3.169
Rotatable bonds: 6
H-donors: 6
H-acceptors: 16
PSA: 221
Number of rings: 7

     

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