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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
Dregeoside Aa1
939.10
3.2
3
17
213.43
16
Epipterosin L 2'-O-glucoside
426.50
-0.5
6
9
156.91
6
Ohchinin
602.70
4.2
1
8
104.43
8
(2R,3R,4S,5S,6R)-2-[(2S)-2-[(1R,2S,2'S,4aR,4bR,6aR,7R,8S,10aR,10bR,12aS)-8-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-hydroxy-7-(hydroxymethyl)-4a,4b,7,10a-tetramethylspiro[3,4,5,6,6a,8,9,10,10b,11,12,12a-dodecahydro-1H-chrysene-2,5'-oxane]-2'-yl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
979.20
0.2
13
20
327.6
12
Protoplumericin A
778.70
-1.3
8
19
286.89
13
Yuexiandajisu E
350.40
1.9
3
5
86.99
0
Yuexiandajisu D
350.40
1.9
3
5
86.99
0
Ebracteolatanolide A
332.40
2.9
1
4
59.06
0
Heteroclitin B
498.60
5.8
0
8
81.68
7
Leptocarpinine
394.40
3.3
0
6
66.23
3
Isosakuranin
448.40
0.9
5
10
155.14
5
ent-9-Hydroxy-15-oxo-16-kauren-19-oic acid beta-D-glucopyranosyl ester
494.60
1
5
9
153.75
4
CID 102004622
318.40
3.9
2
3
57.53
1
[(2S,4R,8S,9R,12R)-1,12-dihydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl] 2-methylpropanoate
368.40
1.8
2
7
102.29
3
2',7-Dihydroxy-5,8-dimethoxyflavanone
316.30
2.1
2
6
85.22
3
6-Methyl-7-O-methylaromadendrin
316.30
2.5
3
6
96.22
2
Dregeoside A11
1101.30
1.6
6
22
292.58
19
(2S)-2,3-Dihydro-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6,8-dimethyl-4H-1-benzopyran-4-one
314.30
3.4
2
5
75.99
2
(8S)-8-(2,4-dihydroxyphenyl)-5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one
422.50
5.3
3
6
96.22
4
(E)-3-[(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide
491.50
3.5
4
7
117.48
9
(1R)-7,8,9-trihydroxy-3,5-dioxo-1,2-dihydrocyclopenta[c]isochromene-1-carboxylic acid
292.20
-0.4
4
8
145.27
1
(2S,3R,4R,5S,6S)-2-[(2S,3R,4S,5S)-4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-[[(1S,2R,5R,7S,10R,11R,14R,15S,16S,18S,20S)-16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
1045.20
0.5
11
21
314.83
10
Cratoxylone
428.50
4.9
4
7
120.36
6
[(1S,2S,3S,4S,6S,8S,9R,10S,13S,16S,17S)-11-ethyl-3,8,9-trihydroxy-4,6,16-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl] 2-acetamidobenzoate
600.70
0.5
4
10
147.02
8
[(2S,3R,4S,5R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-5,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
1209.30
-2.5
16
27
433.05
14
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