COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL483811
Chemical Name: 6-[(11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy]-5-[(6-carboxy-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy]-3,4-di
Smiles: OC1C(OC2OC(C(=O)O)C(C(C2O)O)O)C(OC(C1O)C(=O)[O-])OC1CCC2(C(C1(C)C)CCC1(C2C(=O)C=C2C1(C)CCC1(C2CC(C)(CC1)C(=O)O)C)C)C

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Saltdata: NH4+
Molecular Weight: 821.94
Empirical Formula: C42H61O16

Available Amount: 0 mg

Lipinsky:
logP: 4.637
Rotatable bonds: 13
H-donors: 7
H-acceptors: 16
PSA: 269
Number of rings: 7

     

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