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Compound InformationSONAR Target prediction
Name:

Stachyose

Unique Identifier:LAT006E03
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C24H42O21
Molecular Weight:624.244 g/mol
X log p:-2.411  (online calculus)
Lipinksi Failures2
TPSA64.61
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:21
Rotatable Bond Count:11
Canonical Smiles:OCC1OC(OCC2OC(OCC3OC(OC4(CO)OC(CO)C(O)C4O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)
C(O)C1O

Found: 5 nonactive as graph: single | with analogs 1 2 3 4 5 Next >> 
Species: 4932
Condition: pdr18h
Replicates: 2
Raw OD Value: r im 0.6308±0.0220617
Normalized OD Score: sc h 0.9936±0.00159656
Z-Score: -0.0395±0.0379525
p-Value: 0.968518
Z-Factor: -27.9486
Fitness Defect: 0.032
Bioactivity Statement: Nonactive
Experimental Conditions
Library:LATCA
Plate Number and Position:6|E3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.40 Celcius
Date:2007-03-08 YYYY-MM-DD
Plate CH Control (+):0.04025±0.00231
Plate DMSO Control (-):0.6212±0.01753
Plate Z-Factor:0.9250
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DBLink | Rows returned: 86<< Back 1 2 3 4 5 6 7 8 9 10  Next >> 
219993 2-[[6-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxy-oxan-2-yl]methoxy]-6-(hydrox
ymethyl)oxane-3,4,5-triol
439242 (2S,3R,4S,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-[(2S,3S,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]o
xy-3,4,5-trihydroxy-oxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
439531 (2S,3R,4S,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-[(2S,3S,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]o
xy-3,4,5-trihydroxy-oxan-2-yl]methoxy]-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]
oxymethyl]oxane-3,4,5-triol
440080 (2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-2-[[(2R,3S,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxym
ethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
440140 (2S,3R,4S,5S,6R)-2-[[(2R,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-
6-(hydroxymethyl)oxan-2-yl]oxy-oxolan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
440178 (2S,3R,4S,5S,6R)-2-[[(2R,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-
6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-oxolan-2-yl]met
hoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

internal high similarity DBLink | Rows returned: 0

active | Cluster 8825 | Additional Members: 7 | Rows returned: 0
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