COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL452926
Chemical Name: 9-(acetyloxy)-8-hydroxy-5,8a-bis(hydroxymethyl)-5,6a,6b,11,11,14b-hexamethyl-10-{[(2E)-2-methylbut-2-enoyl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-ylhexopyranosyl
Smiles: OCC1OC(OC2C(OC3CCC4(C(C3)C(C)(CO)CC3(C4CC=C4C3(C)CC(C3(C4CC(C)(C)C(C3OC(=O)C)OC(=O)/C(=C/C)/C)CO)O)C)C)OC(C(C2O)OC2OC(CO)C(C(C2O)O)O)C(=O)O)C(C(C1O)O)O

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Molecular Weight: 1131.27
Empirical Formula: C55H86O24

Available Amount: 0 mg

Lipinsky:
logP: 1.47
Rotatable bonds: 29
H-donors: 13
H-acceptors: 24
PSA: 388
Number of rings: 8

     

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