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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
8-(3,4-dimethoxyphenyl)-6,7-dimethyl-7,8-dihydro-6H-benzo[f][1,3]benzodioxol-5-one
354.40
4.2
0
5
53.99
3
25-Acetoxy-ergosta-3beta,5alpha,6beta-triol
492.70
6.2
3
5
86.99
7
Cerasidin
344.40
3.8
1
6
74.22
7
Arjunone
344.40
2.8
0
6
63.22
5
Calendoflavobioside
610.50
-0.7
10
16
269.43
6
Prim-O-glucosylcimifugin
468.40
-0.9
5
11
168.28
6
5-hydroxy-2-methyl-9-[[(2R,3R,4S,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]oxymethyl]-8,11-dihydropyrano[2,3-g][1]benzoxepin-4-one
598.50
-2.3
8
15
238.2
7
Eranthin-beta-D-glucoside
436.40
-0.2
5
10
159.05
4
5-hydroxy-2-(hydroxymethyl)-9-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-8,11-dihydropyrano[2,3-g][1]benzoxepin-4-one
452.40
-1.4
6
11
179.28
5
5,7-dihydroxy-2-methyl-8-[(E)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-2-enyl]chromen-4-one
438.40
0.8
6
10
170.05
6
5,7-dihydroxy-2-(hydroxymethyl)-8-[(E)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-2-enyl]chromen-4-one
454.40
-0.4
7
11
190.28
7
3,7,11,15-tetramethyl-2E-hexadecenal
294.50
8.3
0
1
17.07
13
Kaempferol-3-O-glucoside-7-O-rhamnoside
594.50
-0.6
9
15
249.2
6
Viscumiside A
464.40
0.6
6
11
175.37
5
Siringinoside
534.50
-2.7
8
14
217.22
10
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
504.50
-2.7
8
13
207.99
9
14-(3,4,5,11,17,18,19-Heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl)-2,3,4,7,8,9,19-heptahydroxy-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaene-12,17-dione
784.50
0.1
14
22
388.42
1
Casuariin
784.50
0.1
14
22
388.42
1
[1-(2,3,4,7,8,9,19-Heptahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl)-1,3-dihydroxypropan-2-yl] 3,4,5-trihydroxybenzoate
634.50
-0.8
12
18
321.66
6
Punicacortein A
634.50
-0.8
12
18
321.66
6
(10R,11S,13R,14R,15S)-3,4,5,11,14,20,21,22-octahydroxy-13-(hydroxymethyl)-9,12,16-trioxatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,18,20-hexaene-8,17-dione
482.30
-0.6
9
14
243.9
1
(10S,11R,12R,13R,15R)-3,4,5,11,12,13,21,22,23-nonahydroxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaene-8,18-dione
482.30
-1.1
9
14
243.9
0
(12R)-11-methylspiro[3,5-dioxa-11-azatetracyclo[6.6.1.02,6.012,15]pentadeca-1(15),2(6),7-triene-14,4'-cyclohexa-2,5-diene]-1'-one
295.30
2.4
0
4
38.77
0
6-epiophiobolin I
384.60
3.9
1
3
46.53
2
Pumilaisoflavone A
464.50
5.4
1
7
87.36
6
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