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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
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]chromen-4-one
446.40
0.7
6
10
170.05
3
(2R,3S,10S)-2,10-bis(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4,9,10-tetrahydro-2H-pyrano[2,3-f]chromen-8-one
452.40
2.2
6
9
156.91
2
(E,6R)-2-methyl-6-[(5R,10S,13S,14S,17S)-4,4,10,13,14-pentamethyl-3-oxo-5,6,7,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]hept-2-enoic acid
452.70
7.5
1
3
54.37
5
Neocalceolarioside D
462.40
-0.4
5
10
162.98
9
Cratoxyarborenone A
464.50
7.8
4
6
111.13
7
12beta-Hydroxykulactone
468.70
5.5
1
4
63.6
3
(4-Methoxybenzyl)thiocarbamic acid 4'-O-(tri-O-acetyl-alpha-L-rhamnopyranoside)
469.50
2.1
1
10
150.71
11
4-[(2S,3R)-3-(3,5-dihydroxyphenyl)-6-hydroxy-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]benzene-1,2-diol
470.50
5
6
7
130.61
4
(1S,2S,4bS,6aS,9R,10aR,10bS)-9-Carboxy-1,2,3,4,4b,5,6,6a,7,8,9,10,10a,10b,11,12-hexadecahydro-1,4b,6a,9,10b-pentamethyl-2-(1-methylethenyl)-1-chrysenepropanoic acid
470.70
7.3
2
4
74.6
5
(4S)-2-[15-(1,3-Benzodioxol-5-yl)pentadecanoyl]-3,4-dihydroxycyclohex-2-en-1-one
472.60
7.6
2
6
93.06
16
5,7-dihydroxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
480.40
0
9
13
230.74
4
Heteroclitin D
482.50
4.1
0
8
89.52
5
4-[(2S,3R)-2-(3,5-dihydroxyphenyl)-6-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-2,3-dihydro-1,4-benzodioxin-3-yl]benzene-1,2-diol
486.50
4.8
6
8
139.84
4
beta-D-glucosyl crocetin
490.50
3.6
5
9
153.75
11
3,5-dihydroxy-6-methoxy-2-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
492.40
1
6
12
188.51
6
(2R)-7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
494.40
0
6
12
184.6
6
(2S,3S,4S,5R,6S)-4-acetyloxy-6-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenoxy]-3,5-dihydroxyoxane-2-carboxylic acid
504.40
1.3
6
13
213.42
6
Broussoflavonol G
506.60
7.9
5
7
131.36
7
Cyclohexene, 4-methyl-1-(1-methylethyl)-
138.25
3.4
0
0
0
1
Amauromine
508.70
6.7
2
4
64.68
4
Benzoylsalireposide
510.50
3
4
10
151.98
10
Naucleoside B
512.50
0.7
6
9
164.94
4
(1R,18S,19R,20S)-19-ethenyl-7-hydroxy-18-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,15-pentaen-14-one
514.50
0.1
6
9
164.94
4
(S)-5-(4-Hydroxy-4-methylisoxazolidine-2-carbonyl)-1-isopropyl-3-methyl-6-((5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methyl)thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
515.50
2
2
10
150.69
4
[(2R,4aS,6aS,8aR,10R,12aS,14aS,14bR)-10-acetyloxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,3,4,5,6,8a,10,11,12,13,14,14b-dodecahydropicen-2-yl]methyl acetate
524.80
8.2
0
4
52.6
5
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