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SCFBio, IIT Delhi Hauz Khas, New Delhi

Chemical Library

Physicochemical properties (MW, LogP) of all entries.

Total Rows 105,909
Pages 4,237
BIMP_ID Name Mol Weight LogP HBD HBA TPSA Rotatable Bonds
(S)-(+)-Curcumene
174.28
4.5
0
0
0
4
(9aS,9bS)-9-(hydroxymethyl)-6-methyl-3-methylidene-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2,7-dione
260.28
0.3
1
4
63.6
1
6-[(3R,4S,6S)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
414.40
1.1
5
9
157.66
2
Isoswertisin 4'-rhamnoside
592.50
-0.8
8
14
228.97
6
6-[(2R,3S,4S,6S)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
430.40
0.8
6
10
177.89
2
6-[(3R,4S,6S)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
444.40
1.1
5
10
166.89
3
Cyanidin 3-O-(2-xylosyl-6'-glucosyl-galactoside)'
743.60
13
19
329.67
10
Apigeninidin 5-(5''-caffeylarabinoside)
549.50
6
10
177.44
8
Cyanidin 3-O-(2'-xylosyl-6'-(6''-p-hydroxybenzoyl-glucosyl)-galactoside)
863.70
13
21
355.97
13
Cyanidin 3-(6''-caffeylsophoroside) 5-glucoside
935.80
15
23
396.43
14
Cyanidin 3-(6'',6'''-dicaffeylsophoroside) 5-glucoside
1097.90
16
26
442.96
18
Cyanidin 3-(6''-caffeyl-6'''-ferulylsophoroside) 5-glucoside
1112.00
15
26
431.96
19
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxyoxan-2-yl]methyl acetate
667.60
9
16
265.82
10
Peonidin 3-feruloyl-diglucoside 5-glucoside
963.90
13
23
374.43
16
Peonidin 3-caffeoyl-rutinoside 5-glucoside
933.80
13
22
365.2
14
3-[[(2R,3S,4R,5R,6S)-3-(2-carboxyacetyl)oxy-4,5-dihydroxy-6-[7-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromenylium-5-yl]oxyoxan-2-yl]methoxy]-3-oxopropanoic acid
945.80
12
24
404.02
19
Petunidin 3-(4'''-p-coumaroyl-rutinoside)
771.70
10
17
286.05
11
Malvidin 3-(6''-p-coumarylglucoside) 5-dimalonylglucoside
973.80
10
24
382.02
21
2-Hydroxyethyl glucosinolate
363.40
-2.6
6
12
220.02
7
4-Methylsulfonyl-3-butenyl glucosinolate
451.50
-1.9
5
13
242.31
9
5-Oxoheptyl glucosinolate
433.50
-0.7
7
13
214.8
11
Catechin-(4alpha->8)-gallocatechin-(4alpha->8)-gallocatechin
898.80
2.6
17
20
371.6
5
Epicatechin-(4beta->6)-catechin 3-gallate
730.60
3.5
12
16
287.52
6
ent-Epiafzelechin-(2alpha->7,4alpha->8)-catechin
560.50
2.7
8
11
189.53
2
Epicatechin-(2beta->7,4beta->8)-epicatechin-(4beta->8)-epicatechin-(4beta->6)-catechin
1153.00
4.3
19
24
430.52
6
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