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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
Pseudolaric acid B-O-beta-D-glucopyranoside
594.60
0.5
4
13
195.35
10
Annocherin
594.90
8.3
3
7
113.29
26
2''-O-Galloylquercitrin
600.50
2
9
15
257.04
6
Homoaerothionin
832.10
1.3
4
10
160.3
10
(1R,3E,5S,7S)-3-[(3,4-dihydroxyphenyl)-hydroxymethylidene]-6,6-dimethyl-5,7-bis(3-methylbut-2-enyl)-1-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)bicyclo[3.3.1]nonane-2,4,9-trione
602.80
10.3
3
6
111.9
10
(-)-Repandine
608.70
6.3
1
8
72.86
3
Methyl 1,4-bisglucosyloxy-3-prenyl-2-naphthoate
610.60
0.6
8
14
225.06
10
Thaligrisine
610.70
6.4
2
8
83.86
9
Woorenoside V
618.60
0.5
6
13
193.83
14
Garcivilin C
620.60
7.3
6
10
181.8
3
Suffruticoside E
622.60
-4.3
9
17
263.75
10
Quercetin 3-O-caffeyl-glucoside
626.50
1.8
9
15
257.04
8
Alopecurone A
650.70
8.1
6
9
156.91
8
(1S,3R,6S,8R,12R,13R,15R,16R,18S)-15-[(2R,5R)-5,6-dihydroxy-6-methyl-4-oxoheptan-2-yl]-13,18-dihydroxy-7,7,12,16-tetramethyl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxypentacyclo[9.7.0.01,3.03,8.012,16]octadec-10-en-14-one
650.80
0.2
7
11
194.21
7
Brachynoside
652.60
0.1
7
15
223.29
13
Ethyl 2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetate
196.20
0.6
1
4
63.6
4
[(3S,6aR,6bS,8aR,12aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] hexadecanoate
665.10
17.1
0
2
26.3
16
orthosiphol O
676.70
5.3
2
11
162.73
11
Actein
676.80
3.3
4
11
156.67
4
[(2S,3S,4R,4aS,4bS,5R,6S,7S,8aS,10R,10aR)-7,10-diacetyloxy-5-benzoyloxy-3-ethenyl-2,6,10a-trihydroxy-2,4b,8,8-tetramethyl-1-oxo-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-4-yl] benzoate
692.70
4.3
3
12
182.96
11
[(2S,3R,4S,4aS,4bS,5R,6S,7S,8aS,10R,10aR)-7,10-diacetyloxy-5-benzoyloxy-2-ethenyl-3,6,10a-trihydroxy-2,4b,8,8-tetramethyl-1-oxo-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-4-yl] benzoate
692.70
4.3
3
12
182.96
11
4-[(E)-2-[(2S,3S)-3-[(2S,3S)-3-(3,5-dihydroxyphenyl)-4-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-6-yl]-4-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-6-yl]ethenyl]benzene-1,3-diol
696.70
7.3
8
10
180.3
6
Yadanzioside L
726.70
-1.6
7
17
265.27
9
[(1R,2S,3S,5S,8R,9R,10S,11S,13R,16S)-5,11,16-triacetyloxy-2-benzoyloxy-8-hydroxy-3-(2-hydroxypropan-2-yl)-6,10-dimethyl-14-oxatetracyclo[8.6.0.03,7.013,16]hexadec-6-en-9-yl] benzoate
734.80
3
2
13
181.19
13
(2R,3R,4S,10S)-2,10-bis(3,4-dihydroxyphenyl)-4-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-3,5-dihydroxy-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-8-one
740.70
3.2
11
15
267.29
4
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