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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
3,4-Di-O-caffeoylquinic acid methyl ester
530.50
1.9
6
12
200.28
10
2,2-bis(4-hydroxy-3-methoxyphenyl)-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1,3-dioxin-4-one
536.50
0
6
13
193.83
8
methyl (2S,4aR,8R,10aR,10bS)-2-(furan-3-yl)-4a-hydroxy-10b-methyl-4-oxo-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,5,6,8,9,10,10a-octahydrobenzo[f]isochromene-7-carboxylate
538.50
-0.8
5
12
185.35
6
Tyrosol
138.16
0.4
2
2
40.46
2
[2,6-dihydroxy-3-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-phenylmethanone
568.50
-1.2
10
14
247.06
7
1,8-dihydroxy-3-methoxy-6-methyl-2-[(7S)-4,7,10-trihydroxy-2-methoxy-7-methyl-5-oxo-6,8-dihydroanthracen-1-yl]anthracene-9,10-dione
570.50
5
5
10
170.82
3
[(2R,3R,4R,5R,6S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl] 3,4,5-trihydroxybenzoate
600.50
2
9
15
257.04
6
(1S,16S)-10,21,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.118,22.027,31.016,34]hexatriaconta-3(36),4,6(35),8(34),9,11,18(33),19,21,24,26,31-dodecaen-9-ol
608.70
6.3
1
8
72.86
3
Antioquine
608.70
6.1
2
8
83.86
3
3-(4-Hydroxyphenyl)propionic acid
166.17
1.2
2
3
57.53
3
Neocalycopteron
614.60
3.6
1
10
111.14
7
Lethedioside A
622.60
-1.1
6
15
216.2
9
ligurobustoside I
624.70
0.4
7
13
204.83
13
(4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bR)-10-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
634.80
8.2
4
7
124.29
6
Leucosceptoside A
638.60
-0.2
8
15
234.29
12
Tribulusamide B
638.70
4.4
5
9
163.65
12
Purpurediolin
638.90
8.4
4
8
125.68
25
(2R,3R)-3-[(10S,11R)-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]-2,3-dihydroxypropanoic acid
650.50
-0.2
12
19
338.73
6
Alopecurone B
650.70
8.1
6
9
156.91
8
alpha-Amyrin palmitate
665.10
16.9
0
2
26.3
16
Quadranoside II
666.80
3.4
8
11
197.37
6
Nagilactoside C
672.70
-2.5
8
16
255.27
7
[(2R,4R,4bS,5R,6S,7S,10R,10aR)-6,7-diacetyloxy-5-benzoyloxy-2-ethenyl-10,10a-dihydroxy-4b-(hydroxymethyl)-2,8,8-trimethyl-1-oxo-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-4-yl] benzoate
692.70
4.1
3
12
182.96
12
(1S,3R,5S,7R,9S,10S,12R,14R,15S,18R,19R,20R,22S,23R)-10,20,22-trihydroxy-7,18-dimethyl-19-(5-oxo-2H-furan-3-yl)-9-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosane-14-carbaldehyde
710.80
-1.6
7
15
231.13
5
4-[5-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2,3,4-trimethoxyphenoxy]-6-[(3,4-dimethoxyphenyl)methyl]-[1,3]dioxolo[4,5-f]isoquinoline
724.80
7.1
0
12
108.43
13
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