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Compound InformationSONAR Target prediction
Name:

D (+) Raffinose

Unique Identifier:LAT006E04
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C18H32O16
Molecular Weight:472.183 g/mol
X log p:-1.921  (online calculus)
Lipinksi Failures1
TPSA46.15
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:16
Rotatable Bond Count:8
Canonical Smiles:OCC1OC(OCC2OC(OC3(CO)OC(CO)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 0.6255±0.0146371
Normalized OD Score: sc h 0.9854±0.0078781
Z-Score: -0.2801±0.247355
p-Value: 0.782696
Z-Factor: -20.212
Fitness Defect: 0.245
Bioactivity Statement: Nonactive
Experimental Conditions
Library:LATCA
Plate Number and Position:6|E4
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: 861 2 3 4 5 6 7 8 9 10  Next >> 
10542 (3R,4S,5S,6R)-2-[[(2R,3R,4S,5R)-6-[(2S,3S,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4
,5-trihydroxy-oxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
24763 (2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-2-[[(2R,3S,4R,5R)-2-[[(2R,3S,4R,5R)-2-[[(2R,3S,4R,5R)-2-[[(2R,3S,4R,5R
)-2-[[(2R,3S,4R,5R)-2-[[(2R,3S,4R,5R)-2-[[(2R,3S,4R,5R)-2-[[(2R,3S,4R,5R)-2-[[(2R,3S,4R,5R)-2-[[(2R,3S,4
R,5R)-2-[[(2R,3S,4R,5R)-2-[[(2R,3S,4R,5R)-2-[[(2R,3S,4R,5R)-2-[[(2R,3S,4R,5R)-2-[[(2R,3S,4R,5R)-2-[[(2R,
3S,4R,5R)-2-[[(2R,3S,4R,5R)-2-[[(2R,3S,4R,5R)-2-[[(2R,3S,4R,5R)-2-[[(2R,3S,4R,5R)-2-[[(2R,3S,4R,5R)-2-[[
(2R,3S,4R,5R)-2-[[(2R,3S,4R,5R)-2-[[(2R,3S,4R,5R)-2-[[(2R,3S,4R,5R)-2-[[(2R,3S,4R,5R)-2-[[(2R,3S,4R,5R)-
2-[[(2R,3S,4R,5R)-2-[[(2R,3S,4R,5R)-2-[[(2R,3S,4R,5R)-2-[[(2R,3S,4R,5R)-2-[[(2R,3S,4R,5R)-2-[[(2R,3S,4R,
5R)-2-[[(2R,3S,4R,5R)-2-[[(2R,3S,4R,5R)-2-[[(2R,3S,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-y
l]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan
-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)ox
olan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethy
l)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxym
ethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydr
oxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(
hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy
-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihyd
roxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-d
ihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3
,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethy
l]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxym
ethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]
oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2
-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxol
an-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)
oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymet
hyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydrox
ymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4
,5-triol
91455 (2S,3R,4S,5S,6R)-2-[[(2R,3S,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,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]
oxymethyl]oxane-3,4,5-triol
102436 2-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-[[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-
yl]oxymethyl]oxane-3,4,5-triol
107452 (3R,4S,5R,6R)-2-[(2R,3S,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-[[(2R,3S,4R,5R)-3,4
-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]oxane-3,4,5-triol
117678 (2R,3R,4S,5R,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

internal high similarity DBLink | Rows returned: 0

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