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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
(E)-pentadec-9-en-11,13-diyne-2,8-dione
230.30
2.4
0
2
34.14
8
Rourinoside
570.60
0
7
13
196.99
14
[(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-3-yl]oxy-3,4-dihydroxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
800.70
1.3
9
19
293.96
12
1-Hydroxy-2-methylanthraquinone
238.24
3.9
1
3
54.37
0
1-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine
521.70
5.7
1
7
114.93
25
hyperinol A
454.70
6.6
1
3
46.53
0
hyperinol B
470.70
5.7
2
4
66.76
0
(1R,4S,5S,6S,7R,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5,6-triol
202.20
-1.7
3
5
79.15
0
[(1S,2S,4S,5S,6R,8S,10R)-8,10-diethoxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]decan-5-yl] 4-hydroxy-3-methoxybenzoate
424.40
1.4
2
9
116.21
9
(1S,2S,4S,5S,6R,10R)-10-ethoxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]decan-5-ol
230.26
-0.8
2
5
71.45
3
[(1S,2S,4S,5S,6R,8R,10R)-8,10-diethoxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]decan-5-yl] 4-hydroxy-3-methoxybenzoate
424.40
1.4
2
9
116.21
9
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(1S,2S,4S,5S,6R,8S,10S)-5-hydroxy-2-(hydroxymethyl)-8-methoxy-3,9-dioxatricyclo[4.4.0.02,4]decan-10-yl]oxy]oxan-2-yl]methyl (E)-3-phenylprop-2-enoate
524.50
-1.2
5
12
176.9
9
(e)-7-Hydroxy-3-(3',4',5'-trimethoxybenzylidene) chroman-4-one
342.30
2.9
1
6
74.22
4
[(5R,6R,8R,9S,10R,13R,14R,15S)-5,6,14-trihydroxy-17-[(1S)-1-[(2S,3S)-3-hydroxy-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-10,13-dimethyl-1-oxo-4,6,7,8,9,11,12,15-octahydrocyclopenta[a]phenanthren-15-yl] acetate
544.60
0.8
4
9
150.59
4
[(1S,2R,5R,7S,9R,11R,12R,13S,16R)-15-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-12-hydroxy-5-methoxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-14-en-13-yl] acetate
542.70
2.4
1
8
111.66
5
[(5R,6R,8R,9S,10R,13R,14S,15S,17R)-5,6,14,17-tetrahydroxy-17-[(1R)-1-[(2R)-5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-10,13-dimethyl-1-oxo-6,7,8,9,11,12,15,16-octahydro-4H-cyclopenta[a]phenanthren-15-yl] acetate
562.60
0.9
5
10
170.82
5
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2E,4R)-4-hydroxy-3,7-dimethylocta-2,6-dienoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
494.50
-2
8
12
198.76
10
(2R,3R,4S,5S,6R)-2-[(E,4R)-4,7-dihydroxy-3,7-dimethyloct-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
350.40
-1.1
6
8
139.84
8
(2R,3R,4S,5S,6R)-2-[(2E,4R,6E)-4,8-dihydroxy-3,7-dimethylocta-2,6-dienoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
348.39
-1.1
6
8
139.84
8
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-[(2E,4R)-4-hydroxy-3,7-dimethylocta-2,6-dienoxy]-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
494.50
-1.4
8
12
198.76
10
(2e)-7-hydroxy-3,7-dimethyl-2-octenyl 6-O-alpha-l-arabinopyranosyl-beta-d-glucopyranoside
466.50
-2.1
7
11
178.53
10
Solanigroside C
1111.20
-2.6
15
26
412.82
12
Solanigroside E
1197.30
-3.6
15
28
431.28
12
Solanigroside G
1051.20
-1.3
13
23
355.29
11
Solanigroside D
1181.30
-2.6
14
27
411.05
12
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