COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL524448
Chemical Name: (5xi,9xi,18xi)-30-methoxy-11,30-dioxoolean-12-en-3-ylmethyl3,4-di-O-acetyl-2-O-(2,3,4-tri-O-acetyl-6-methylhexopyranuronosyl)hexopyranosiduronate
Smiles: COC(=O)C1OC(OC2CC[C@]3(C(C2(C)C)CC[C@@]2(C3C(=O)C=C3[C@@]2(C)CC[C@@]2(C3C[C@](C)(CC2)C(=O)OC)C)C)C)C(C(C1OC(=O)C)OC(=O)C)OC1OC(C(=O)OC)C(C(C1OC(=O)C)OC(=O)C)OC(=O)C

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Molecular Weight: 1075.21
Empirical Formula: C55H78O21

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 10.487
Rotatable bonds: 19
H-donors: 0
H-acceptors: 21
PSA: 264
Number of rings: 7

     

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