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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
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-2-[(1R,2S,3'S,4S,5'R,6R,7S,8R,9S,12S,13R,16S,18S,19S)-3',16-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-19-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]oxy-6-methyloxane-3,4,5-triol
740.90
2
7
13
196.99
4
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-2-[(1R,2S,3'R,4S,5'S,6R,7S,8R,9S,12S,13R,16S,18S,19S)-3',16-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-19-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]oxy-6-methyloxane-3,4,5-triol
740.90
2
7
13
196.99
4
(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1S,2S,4S,6R,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'-oxane]-16-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
901.00
0.3
10
18
276.14
9
galloyl(-2)[galloyl(-3)][galloyl(-4)][galloyl(-6)]All(b)-O-galloyl
940.70
3.6
15
26
444.18
16
bis[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl] (2R)-2-(2-methylpropyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-phenylprop-2-enoyl]oxymethyl]oxan-2-yl]oxybutanedioate
1019.00
0
11
23
356.81
24
[(1S,2S,4S,5'S,6R,7S,8R,9S,12S,13R,14R,16R)-16-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl] acetate
1091.20
-1.6
12
24
361.36
13
Danshensu
198.17
-0.2
4
5
97.99
3
(4aS,6R,8aS)-4a-hydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-5,6,7,8-tetrahydro-1H-naphthalen-2-one
252.35
0.9
2
3
57.53
1
(1S,9S,10R,11R,14S,15R,16S)-10-ethyl-14-methyl-12-oxa-4-azatetracyclo[7.6.1.04,16.011,15]hexadecan-13-one
277.40
3.2
0
3
29.54
1
4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-[(4-hydroxyphenyl)methyl]-
284.26
3
3
5
90.9
2
Phoyunbene D
286.32
3.8
1
4
47.92
5
Cannabidivarin
286.40
5.4
2
2
40.46
4
(5S,6R,8aR)-5-[2-(furan-3-yl)ethyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
316.40
5.6
1
3
50.44
4
(1S)-1-[(2S,4aR,4bR,5R,8aR)-5-hydroxy-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-yl]ethane-1,2-diol
322.50
3.2
3
3
60.69
2
(-)-Dihydroguaiaretic acid
330.40
5
2
4
58.92
7
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(Z)-3-hydroxy(2,3-13C2)prop-1-enyl]-2-methoxyphenoxy]oxane-3,4,5-triol
344.33
-1.3
5
8
128.84
6
CID 11603911
408.50
3.3
0
6
71.06
3
4-Pentenenitrile
81.12
1
0
1
23.79
2
1,3-Cyclohexadiene
80.13
2.5
0
0
0
0
(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[[(1R,2S,4R,5R)-5-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]oxane-3,4,5-triol
464.50
-2
7
11
178.53
6
Atroviolacegenin
464.60
3
4
6
99.38
1
Longipedlactone A
478.60
4.3
1
5
72.83
2
Rosmarinyl glucoside
522.50
0.6
8
13
223.67
10
kaempferol 7-O-(2,3-di-E-p-coumaroyl-alpha-L-rhamnopyranoside)
724.70
5.8
6
14
222.65
11
[4-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4S)-3,4-dihydroxy-4-[(4-hydroxybenzoyl)oxymethyl]oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3-methoxyphenyl]methyl 3,4-dimethoxybenzoate
732.70
0.6
6
17
238.59
16
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