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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
Achyranthoside B
955.00
3.1
9
20
314.96
11
1b-Hydroxy-3b-caffeate lup-20(29)-ene (3)
604.90
10.8
3
5
86.99
5
4-Epi-niga-ichigoside
666.80
2.5
8
11
197.37
5
N20-Formylbuxaminol E
428.60
5
2
3
52.57
3
Cyclobuxophylline O
355.60
5.4
1
2
43.09
0
(2R)-2-phenyl-2-[(4S,5S)-3,4,5-trihydroxy-6-[[(3R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyacetonitrile
457.40
-2.7
7
12
202.32
7
2-[(5R,7R)-13,14,15,18,19,20,31,35,36-nonahydroxy-2,10,23,28,32-pentaoxo-5-(3,4,5-trihydroxybenzoyl)oxy-3,6,9,24,27,33-hexaoxaheptacyclo[28.7.1.04,25.07,26.011,16.017,22.034,38]octatriaconta-1(37),11,13,15,17,19,21,34(38),35-nonaen-29-yl]acetic acid
954.70
0.4
13
27
447.09
5
9,19-Cyclolanost-24-ene-3,26-diol, (3beta)-
442.70
8.5
2
2
40.46
5
Lantoic acid
486.70
5.7
3
5
86.99
1
(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R,6S)-2,3,6,7-tetrahydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
496.60
-0.6
7
8
158.68
6
(2r)-2-(2-Hydroxypropan-2-yl)-10-methylspiro[4.5]dec-6-ene-6-carboxylic acid
252.35
3
2
3
57.53
2
Guajadial D
474.60
6.7
2
5
83.83
4
Guajadial C
474.60
6.7
2
5
83.83
4
Guajadial F
474.60
6.6
2
5
83.83
4
Guajadial E
474.60
6.6
2
5
83.83
4
(3S)-4-hydroxy-6-methoxyspiro[1,2-dihydroindene-3,4'-cyclohex-2-ene]-1'-one
244.28
2.5
1
3
46.53
1
Jasmoside
928.90
-1.5
8
22
322.42
14
Diversoside
494.50
1.4
5
10
159.05
10
(5S,6R,9S,10S,15S,16E,17S)-16-ethylidene-6-hydroxy-5,9-dimethyl-17-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,12,18-trioxatricyclo[13.4.0.06,10]nonadec-1(19)-ene-2,13-dione
542.60
-0.4
5
12
181.44
3
Echitoveniline
548.60
4.5
1
9
95.56
9
methyl (1R,12R,19R)-12-[(1R)-1-(3-methylbut-2-enoyloxy)ethyl]-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9-tetraene-10-carboxylate
436.50
4.4
1
6
67.87
6
Cryptanoside A
562.60
0.3
3
10
144.28
4
methyl (1S,15S,17S,18S)-17-ethyl-5-[(1S,12R,14S,15E)-15-ethylidene-18-methoxycarbonyl-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl]-6-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate
704.90
6.1
2
7
99.89
7
(2S)-2-hydroxy-6-(2-hydroxyethyl)-2,5,7-trimethyl-3H-inden-1-one
234.29
1.6
2
3
57.53
2
(1R,4E,6S,7R,11Z)-4-ethylidene-7-hydroxy-6,7,14-trimethyl-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-3,8,17-trione
365.40
1.4
1
7
93.14
0
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