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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
Biorobin
594.50
-0.9
9
15
249.2
6
(3S,6R,8S,10R,12R,13R,16S,17R)-8-tert-butyl-6,12,17-trihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione
424.40
-0.4
3
10
148.82
1
[(2R,3S,4R,5S,6R)-3,4,5-tris[(3,4,5-trihydroxybenzoyl)oxy]-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-2-yl] 2-[[(1S,7S,8R,26R,28S,29R,38R)-1,13,14,15,18,20,34,35,39,39-decahydroxy-2,5,10,23,30-pentaoxo-28-(3,4,5-trihydroxybenzoyl)oxy-6,9,24,27,31,40-hexaoxaoctacyclo[34.3.1.04,38.07,26.08,29.011,16.017,22.032,37]tetraconta-3,11,13,15,17,19,21,32(37),33,35-decaen-19-yl]oxy]-3,4,5-trihydroxybenzoate
1891.30
1.9
28
53
883.43
21
Xanthiazone
239.29
0.1
2
4
91.7
1
(8S,9R)-9-hydroxy-8-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-8,9-dihydrofuro[2,3-h]chromen-2-one
424.40
-0.8
5
10
159.05
4
(+)-4-[(R)-2-Hydroxy-3-methoxy-3-methylbutoxy]-7H-furo[3,2-g][1]benzopyran-7-one
318.32
2.1
1
6
82.04
5
Zeylanidine-B
366.30
-1.1
1
9
124.19
2
1,8,10-Trihydroxy-3-methyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracen-9-one
418.40
0
7
9
167.91
2
Calipteryxin
426.50
4.6
0
7
92.04
6
Cirsimarin
476.40
1.2
5
11
168.28
6
ent-16-Kaurene-3beta,15beta,18-triol
320.50
3.2
3
3
60.69
1
(1R,4S,5S,9S,10S,13R,15S)-15-hydroxy-5-(hydroxymethyl)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-6-one
318.40
2.9
2
3
57.53
1
7-Hydroxy-6-methoxy-3-prenylcoumarin
260.28
3.5
1
4
59.67
3
(3aR,7aR)-3a-hydroxy-4,4,7a-trimethyl-3,5,6,7-tetrahydro-1-benzofuran-2-one
198.26
1.3
1
3
46.53
0
(1R,2R,4R)-1-methyl-4-prop-1-en-2-ylcyclohexane-1,2-diol
170.25
1.5
2
2
40.46
1
Karounidiol
440.70
7
2
2
40.46
1
(2r,3r,5s,6r)-2,6-Bis(hydroxymethyl)piperidine-3,4,5-triol
193.20
-2.4
6
6
113.18
2
(1R,7R,10R)-10,11,11-trimethyltricyclo[5.3.1.01,5]undec-4-ene-4-carboxylic acid
234.33
3.6
1
2
37.3
1
Peonidin 3,5-diglucoside
661.00
10
16
259.75
8
(2S,3S,4R,5R,6S)-6-[5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)chromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
494.40
0.3
9
14
247.81
4
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[(1S,2S,4S,5'S,6S,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
868.10
1.1
9
16
238.48
7
Teucrin A
344.40
1.3
1
6
85.97
1
Radicamine B
225.24
-0.6
5
5
92.95
2
Quercetin 3,7-dirhamnoside
594.50
-0.4
9
15
249.2
5
2-(2,4-Dihydroxy-5-prenylphenyl)-5,6-methylenedioxybenzofuran
338.40
5
2
5
72.06
3
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