COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL564422
Chemical Name: (2S,3R,4R,5R,6R)-2-(((2S,3R,4R,5R,6R)-4,5-dihydroxy-2-(((2'R,5'S,6aR,8aS,9S)-4-hydroxy-5',6a,8a,9-tetramethyl-1,3,3',4,4',5,5',6,6a,6b,6',7,8,8a,8b,9,11a,12,12a,12b-icosahydrospiro[naphtho[2',1':4,5]i
Smiles: OCC1O[C@@H](OC2CC(O)CC3=CCC4C([C@@]23C)CC[C@]2(C4CC3C2[C@H](C)[C@]2(O3)CC[C@@H](CO2)C)C)C(C([C@H]1O)O)O[C@@H]1OC(C)[C@@H](C(C1O)O)O

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Molecular Weight: 738.91
Empirical Formula: C39H62O13

Available Amount: 0 mg

Lipinsky:
logP: 5.24
Rotatable bonds: 12
H-donors: 7
H-acceptors: 13
PSA: 196
Number of rings: 8

     

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