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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
9-Deacetyl Taxinine
564.70
3.9
1
8
116.2
8
Canescein
566.60
-1.8
6
11
183.21
4
artoindonesianin A
570.70
7.8
3
7
109.36
5
[(2R,3R,4R,5R,6S)-3,4-diacetyloxy-6-[[(2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-7-hydroxy-3-oxo-1-benzofuran-6-yl]oxy]-5-hydroxyoxan-2-yl]methyl acetate
574.50
1.5
4
14
204.58
10
6-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-7-methoxy-2-phenylchromen-4-one
576.50
0.6
6
13
197.74
6
(2S)-Naringenin 8-C-alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranoside
580.50
-1.2
9
14
236.06
5
(10S,11R,12R,13S,15R)-3,4,5,11,12,21,22,23-octahydroxy-13-[2-(hydroxymethyl)phenoxy]-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaene-8,18-dione
588.50
0.4
9
15
253.13
3
6-[(2R,3S,4R,5S,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
592.50
-0.4
8
14
228.97
5
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,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]chromen-4-one
594.50
-1.9
10
15
260.2
6
Crassostreaxanthin B
598.90
9.2
2
4
74.6
15
Javoricin formal
608.90
9.7
2
7
94.45
23
[4-[[(8S,13aR)-2,3,10,11-tetraacetyloxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-8-yl]methyl]phenyl] acetate
615.60
4.1
0
11
134.74
12
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6bS,8aR,10S,12aS,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,14b-dodecahydropicene-4a-carboxylate
616.80
5.4
5
8
136.68
4
[(3S,4R,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-3-hydroxy-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-4-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
620.90
8.3
4
6
107.22
6
[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-[5-hydroxy-7-methoxy-4-oxo-2-(3,4,5-trihydroxyphenyl)chromen-3-yl]oxy-6-methyloxan-4-yl] 3,4,5-trihydroxybenzoate
630.50
2
9
16
266.27
7
Cryptophycin-16
641.10
5.8
3
8
143.56
7
[(1R,12R,13S,14R,15S)-1-hydroxy-3-methoxy-12-(4-methoxyphenyl)-14-[(2S)-2-(2-methylpropanoylamino)pyrrolidine-1-carbonyl]-13-phenyl-5,7,11-trioxatetracyclo[10.2.1.02,10.04,8]pentadeca-2,4(8),9-trien-15-yl] acetate
672.70
4.2
2
10
142.09
9
Cryptophycin 175
673.60
7.7
2
7
120.03
8
Suffruticosol A
680.70
6.8
8
9
171.07
4
4'-O-beta-D-glucosyl-cis-p-coumaric acid
326.30
0.1
5
8
136.68
5
Colchiceine, N-deacetyl-N-methyl-
357.40
1
2
6
77.02
4
(3S,4S,5R,6S)-5-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-[[(1S,2R,5R,7S,10R,11R,14R,15S,16S,18R,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]oxane-3,4-diol
736.90
3.8
6
12
176.76
6
3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
740.70
-2.1
10
19
297.12
9
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,15S,16R,18R)-15-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
756.90
2.3
8
14
217.22
6
[(2R,3R,4S,5R,6R)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3-hydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
770.70
-1.4
10
19
293.21
15
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