COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL372819
Chemical Name: 3-[(2-O-hexopyranuronosylhexopyranuronosyl)oxy]-11-oxoolean-12-en-29-oate
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+,3H2O
Molecular Weight: 821.94
Empirical Formula: C42H61O16

Physical State: Dry powder
Available Amount: 1174 mg

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

     

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