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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
(8E,14S)-5,14-dihydroxy-4,6-dimethoxy-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),8,15,18-heptaen-12-one
370.40
2.7
2
6
85.22
2
(8Z,12S)-4,6-dimethoxy-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),8,15,18-heptaene-5,12-diol
356.40
4.2
2
5
68.15
2
(8Z,10R)-4,6-dimethoxy-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),8,15,18-heptaene-5,10-diol
356.40
4.3
2
5
68.15
2
(8Z,10R)-5,10-dihydroxy-4,6-dimethoxy-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),8,15,18-heptaen-12-one
370.40
2.7
2
6
85.22
2
(8Z,10E,12R)-4,6-dimethoxy-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),8,10,15,18-octaene-5,12-diol
354.40
4.2
2
5
68.15
2
(8Z,10E,12R)-4-methoxy-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3(20),4,6,8,10,15,18-octaene-5,12-diol
324.40
4.2
2
4
58.92
1
(10E)-17-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),10,14(18),15-heptaen-9-one
588.60
0.1
7
12
195.6
5
[(3R,3aR,4S,9aR,9bS)-3,6,9-trimethyl-2,7-dioxo-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] (Z)-2-methylbut-2-enoate
344.40
2.4
0
5
69.67
3
(1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-4-(2-propan-2-yloxiran-2-yl)butan-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
456.70
8.8
1
2
32.76
5
(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(2R)-5-(hydroxymethyl)-5-methoxy-6-methylheptan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
488.80
8.4
2
3
49.69
7
[(1S,3R,6S,7S,8S,9S,10S,11S,16S)-6-acetyl-8-acetyloxy-7,11-dimethyl-14-oxo-2-oxapentacyclo[8.8.0.01,3.03,7.011,16]octadecan-9-yl] 2-methylbutanoate
488.60
3
0
7
99.27
7
[(1S,3R,6S,7S,8S,9S,10S,11S,14S,16S)-6-acetyl-8-acetyloxy-14-[(2R,4R,5R,6R)-5-[(2S,3R,4S,5R,6R)-5-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-7,11-dimethyl-2-oxapentacyclo[8.8.0.01,3.03,7.011,16]octadecan-9-yl] benzoate
1139.20
-0.2
8
24
336.34
18
[(1S,3R,6S,7S,8S,9S,10S,11S,14S,16S)-6-acetyl-14-[(2R,4R,5R,6R)-5-[(2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-8-hydroxy-7,11-dimethyl-2-oxapentacyclo[8.8.0.01,3.03,7.011,16]octadecan-9-yl] acetate
710.80
1.3
3
13
171.97
9
[(1S,3R,6S,7S,8S,9S,10S,11S,14S,16S)-6-acetyl-14-[(2R,4R,5R,6R)-5-[(2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-8-hydroxy-7,11-dimethyl-2-oxapentacyclo[8.8.0.01,3.03,7.011,16]octadecan-9-yl] (E)-2-methylbut-2-enoate
750.90
2.5
3
13
171.97
10
[(1S,3R,6S,7S,8S,9S,10S,11S,14S,16S)-6-acetyl-14-[(2R,4R,5R,6R)-5-[(2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-8-hydroxy-7,11-dimethyl-2-oxapentacyclo[8.8.0.01,3.03,7.011,16]octadecan-9-yl] benzoate
772.90
3
3
13
171.97
10
1-[(1S,3R,6S,7S,8S,9S,10S,11S,14S,16S)-8,9-dihydroxy-14-[(2R,4R,5R,6R)-5-[(2S,3R,4S,5R,6R)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-7,11-dimethyl-2-oxapentacyclo[8.8.0.01,3.03,7.011,16]octadecan-6-yl]ethanone
831.00
-0.9
7
17
245.05
10
[(1S,3R,6S,7S,8S,9S,10S,11S,14S,16S)-6-acetyl-8-hydroxy-14-[(2R,4R,5R,6R)-5-[(2S,3R,4S,5R,6R)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-7,11-dimethyl-2-oxapentacyclo[8.8.0.01,3.03,7.011,16]octadecan-9-yl] (E)-2-methylbut-2-enoate
913.10
0.9
6
18
251.12
13
(2S,3R,4R,5R,6R)-2-[(2R,3R,4R,6R)-6-[[(2S,3S,6S,8S,11R,14R,17R,18S,19S)-19-hydroxy-3,13,18-trimethyl-12,20-dioxahexacyclo[11.6.1.02,11.03,8.011,17.014,18]icosan-6-yl]oxy]-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-6-methyloxane-3,5-diol
652.80
2.3
3
11
134.53
6
Lapidin
334.40
3.3
1
4
63.6
4
5-[7-methoxy-5-[(E)-3-methoxyprop-1-enyl]-1-benzofuran-2-yl]-1,3-benzodioxole
338.40
4.1
0
5
50.06
5
5-[7-Methoxy-5-(3-methoxypropyl)-1-benzofuran-2-yl]-1,3-benzodioxole
340.40
4.2
0
5
50.06
6
[(S)-1,3-benzodioxol-5-yl-[(3S,4R)-4-(1,3-benzodioxol-5-ylmethyl)-2-oxooxolan-3-yl]methyl] acetate
412.40
3.1
0
8
89.52
6
(2S)-4-[(7R)-7-hydroxy-7-[(2R,5R)-5-[(1S)-1-hydroxynonadecyl]oxolan-2-yl]heptyl]-2-methyl-2H-furan-5-one
564.90
11.8
2
5
75.99
26
(2S)-4-[(7R)-7-hydroxy-7-[(2R,5R)-5-[(1R)-1-hydroxynonadecyl]oxolan-2-yl]heptyl]-2-methyl-2H-furan-5-one
564.90
11.8
2
5
75.99
26
(5S)-3-[(11R)-11-Hydroxy-11-[(2R,2a(2)R,5R,5a(2)R)-octahydro-5a(2)-[(1S)-1-hydroxytridecyl][2,2a(2)-bifuran]-5-yl]undecyl]-5-methyl-2(5H)-furanone
606.90
11.2
2
6
85.22
25
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