COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL566003
Chemical Name: 2,5,6-trihydroxyspirostan-3-ylhexopyranosyl-(1->2)-[pentopyranosyl-(1->3)]hexopyranosyl-(1->4)hexopyranoside
Smiles: OCC1OC(OC2CC3(O)C(O)CC4C(C3(CC2O)C)CCC2(C4CC3C2C(C2(O3)CCC(CO2)C)C)C)C(C(C1OC1OC(CO)C(C(C1OC1OC(CO)C(C(C1O)O)O)OC1OCC(C(C1O)O)O)O)O)O

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Molecular Weight: 1083.19
Empirical Formula: C50H82O25

Physical State: Liquid
Available Amount: 55 mg

Lipinsky:
logP: -1.672
Rotatable bonds: 26
H-donors: 15
H-acceptors: 25
PSA: 395
Number of rings: 10

     

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