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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
(2R,3R,4R,5R,6S)-2-[[(1R,3R,8S,9S,10R,13S,14S,16S,17R)-3-hydroxy-17-[(2S,3S)-3-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl]oxy]-6-methyloxane-3,4,5-triol
742.90
2
9
13
218.99
10
(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
751.00
4.4
7
12
195.6
6
5-Methyl-3-methylene-5-hexen-2-one
124.18
2.2
0
1
17.07
3
(1S,2S,15R,17S)-13,19-dihydroxy-3,3,29,29-tetramethyl-6,10,22,26-tetrakis(2-methylbut-3-en-2-yl)-4,8,16,24,28-pentaoxaheptacyclo[15.12.0.02,15.05,14.07,12.018,27.020,25]nonacosa-5(14),6,10,12,18(27),19,21,25-octaene-9,23-dione
777.00
11.2
2
9
128.57
8
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(1S,2R,3R)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]oxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
788.80
2.1
7
17
241.75
16
Zingibroside R1
795.00
4.5
8
14
232.9
7
(3S,5R,8R,9S,10R,13R,14S,17R)-3-[(2R,4S,5R,6R)-5-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
856.90
-2
8
18
269.82
11
(3S,5R,8R,9S,10R,13R,14S,17R)-14-hydroxy-3-[(2R,4S,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
856.90
-2
8
18
269.82
11
(2R,3S,4R)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-6-yl]-6-[(2R,3S,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
866.80
3.3
15
18
331.14
5
[2,4-dihydroxy-3-[(E,1S,5S)-5-hydroxy-1,7-bis(4-hydroxyphenyl)hept-2-enyl]-6-methoxyphenyl]-[(2S,3S,4R,6R)-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-6-[2-(4-hydroxyphenyl)ethyl]oxan-3-yl]methanone
879.00
10.2
8
11
197.37
17
(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8S,8aS,12aS,14aR,14bR)-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
915.10
1.1
11
17
277.91
9
Hosenkoside L
949.10
0.3
12
19
307.37
11
Hosenkoside M
1111.30
-1.3
15
24
386.52
14
[(2S,3R,4S,5R,6S)-4,5-dihydroxy-6-[(2S,3S,4S,5R,6S)-5-hydroxy-2-methyl-4-octanoyloxy-6-[[(1S,3R,4S,5S,6R,8R,10S,22S,23S,24S,26R)-4,5,26-trihydroxy-6-(hydroxymethyl)-24-methyl-20-oxo-10-pentyl-2,7,9,21,25-pentaoxatricyclo[20.3.1.03,8]hexacosan-23-yl]oxy]oxan-3-yl]oxy-2-methyloxan-3-yl] decanoate
1135.40
9.3
7
21
294.35
27
[(2S,3R,4R,5R,6S)-6-[(2S,3R,4R,5R,6S)-5-decanoyloxy-4-hydroxy-2-methyl-6-[[(1R,3S,5S,6R,7R,8R,20S,22R,24R,25R,26S)-7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]oxan-3-yl]oxy-4-hydroxy-2-methyl-5-[(E)-3-phenylprop-2-enoyl]oxyoxan-3-yl] decanoate
1277.60
13.6
5
21
280.19
32
5-Phenyl-2-oxazolidinethione
179.24
1.8
1
2
53.35
1
(2R,4R)-4-hydroxy-2,7-dimethyl-3,4-dihydro-2H-naphthalen-1-one
190.24
1.8
1
2
37.3
0
Robinlin
198.26
0.7
2
3
57.53
2
Etrogol
206.28
3
1
2
29.46
5
9-Hydroxysemperoside aglucone
214.21
-0.6
2
5
75.99
0
6-Acetyl-2,2-dimethylchroman-4-one
218.25
1.7
0
3
43.37
1
alpha-Cadinol
222.37
3.3
1
1
20.23
1
(2S,4S)-4-sulfooxypiperidine-2-carboxylic Acid
225.22
-3.4
3
7
121.31
3
8-methoxy-3-methyl-9H-carbazol-2-ol
227.26
3.4
2
2
45.25
1
7-Methoxybenzo[f][1]benzofuran-4,9-dione
228.20
2.2
0
4
56.51
1
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