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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
[(3R,4aR,6aR,6bS,8aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,13,14,14a-tetradecahydropicen-3-yl] acetate
468.80
9.4
0
2
26.3
2
delta-Amyrin acetate
468.80
9.4
0
2
26.3
2
2-(3,4-Dimethoxyphenyl)-7-hydroxy-8-[2-methoxy-5-(7-methoxy-4-oxo-2,3-dihydrochromen-2-yl)phenyl]-2,3-dihydrochromen-4-one
582.60
5
1
9
109.75
7
[6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
595.50
8
12
217.9
8
6-O-(trans-4-coumaroyl)-alpha-D-glucopyranose
326.30
-0.8
5
8
136.68
5
1-Benzopyrylium,3-(b-D-galactopyranosyloxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-
465.40
9
11
211.83
4
Quercetin-3-gentiobioside
626.50
-1.8
11
17
289.66
7
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(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]oxychromen-4-one
626.50
-1.8
11
17
289.66
7
Pyrrolnitrin
257.07
4.4
1
2
58.93
1
Securoside A
694.60
-0.4
8
17
260.59
15
[(2R,3S,4S,5R,6R)-6-[(2S,3S,4R,5R)-4-acetyloxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
736.70
-0.4
7
18
266.66
17
[(2R,3S,4S,5R,6R)-6-[(2S,3S,4R,5R)-4-acetyloxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate
898.80
-2.2
10
23
345.81
20
Lavandoside
356.32
-1.1
5
9
145.91
6
[(2R,3R,4S,5R,6S)-6-[4-[(3S,3aR,6S,6aR)-6-(4-acetyloxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenoxy]-3,4,5-triacetyloxyoxan-2-yl]methyl acetate
730.70
2.3
0
16
186.88
17
4-[(4-Hydroxy-3,5-dimethoxyphenyl)methyl]-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
432.50
3.5
1
8
92.68
9
(3R,4R)-4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
432.50
3.5
1
8
92.68
9
(-)-Cubebininolide
446.50
3.9
0
8
81.68
10
Gossypetin 3,5,8,3',4'-pentamethyl ether
388.40
2.9
1
8
96.59
6
7-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,5,8-trimethoxychromen-4-one
374.30
2.6
2
8
107.59
5
5,7-Dihydroxy-3,4',8-trimethoxyflavone
344.30
3.1
2
7
98.36
4
Conyzatin
404.40
3.1
2
9
116.82
6
methyl (9S,10S)-9,10-dihydroxyoctadecanoate
330.50
5.5
2
4
66.76
17
5,7,3'-Trihydroxy-4'-methoxy-6,8-diprenylisoflavone
436.50
6.5
3
6
100.13
6
[4-[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 3,4-dihydroxybenzoate
422.40
0.7
6
10
166.14
7
(9S,10E,12Z,15Z)-9-Hydroxy-10,12,15-octadecatrienoic acid
294.40
4.7
2
3
57.53
13
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