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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
Escin IIA
1101.20
0.7
12
23
367.81
15
[(2S,3R,4S,5R,6S)-4,5-dihydroxy-6-[(2S,3R,4R,5R,6S)-4-hydroxy-2-methyl-5-octanoyloxy-6-[[(1R,3S,5S,6R,7R,8R,20S,22R,24R,25S,26S)-7,25,26-trihydroxy-24-(hydroxymethyl)-5-methyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]oxan-3-yl]oxy-2-methyloxan-3-yl] octanoate
1107.40
8.3
7
21
294.35
25
[(2S,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-4-hydroxy-2-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]-5-(hydroxymethyl)oxolan-3-yl] benzoate
1165.10
-0.8
12
29
431.03
26
(2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8R,8aR,9S,12aS,14aR,14bR)-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-9-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
1205.30
0.3
15
26
420.66
16
(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6R)-6-[(1R,2S,4S,5'R,6R,7S,8S,9S,12S,13R,15R,16R)-8,15-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
1227.30
-5
17
29
454.67
14
Effusol
252.31
4.3
2
2
40.46
1
Enterolosaponin B
1540.70
-0.9
17
32
506.91
21
(3S,5S)-piperidine-3,4,5-triol
133.15
-2.3
4
4
72.72
0
3-But-3-enyloxolan-2-one
140.18
1.7
0
2
26.3
3
methyl (1R,2R,4S)-4-[(2S,4S,5R,6R)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
569.60
3.1
4
11
163.06
6
cis-Pulegol
154.25
2.4
1
1
20.23
0
(2S)-2-amino-1-((1,2,3,4,5,6-14C6)cyclohexatrienyl)propan-1-ol
163.16
0.8
2
2
46.25
2
Hyacinthacine A1
173.21
-0.7
3
4
63.93
1
Methyl Deca-4,6-diynoate
178.23
2.5
0
2
26.3
5
(1R,2S,3R,4S,5R,6R)-8-azabicyclo[3.2.1]octane-1,2,3,4,6-pentol
191.18
-3.4
6
6
113.18
0
Paeonilactone A
198.22
0.2
1
4
63.6
0
1alpha,7alpha,10alphaH-Guaia-4,11-dien-3-one
218.33
3.7
0
1
17.07
1
Propyl 3-(3,4-Dihydroxyphenyl)Acrylate
222.24
3.2
2
4
66.76
5
Oxyphyllenodiol A
238.32
0.7
2
3
57.53
1
cyperusol A1
250.33
0.8
2
3
57.53
1
(E)-Benzyl 3-(4-hydroxyphenyl)acrylate
254.28
3.3
1
3
46.53
5
Radicamine A
255.27
-0.6
5
6
102.18
3
Hydroxy-alpha-sanshool
263.37
2.8
2
2
49.33
8
Asparenydiol
266.29
3.7
2
3
49.69
4
5beta-Hydroxyilicic acid
268.35
1.7
3
4
77.76
2
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