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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
[(1S,2S,5S,6R,7S,9R,10R,11R,13S,14S)-9,10,14-trihydroxy-5,9,14-trimethyl-4-oxo-3,12-dioxatetracyclo[8.4.0.02,6.011,13]tetradecan-7-yl] (Z)-2-methylbut-2-enoate
396.40
0.1
3
8
125.82
3
[(1S,2S,5S,6R,7S,9R,10R,11R,13S,14S)-9,10,14-trihydroxy-5,9,14-trimethyl-4-oxo-3,12-dioxatetracyclo[8.4.0.02,6.011,13]tetradecan-7-yl] 3-methylbutanoate
398.40
0.2
3
8
125.82
4
[(1S,2R,4S,5R,6S,9S,10S,11R)-2-hydroxy-2,6,11-trimethyl-7-oxo-8,12,13-trioxatetracyclo[9.2.2.01,10.05,9]pentadec-14-en-4-yl] (Z)-2-methylbut-2-enoate
378.40
1.8
1
7
91.29
3
[(1S,2R,4S,5R,6S,9S,10S,11R)-2-hydroxy-2,6,11-trimethyl-7-oxo-8,12,13-trioxatetracyclo[9.2.2.01,10.05,9]pentadec-14-en-4-yl] 3-methylbutanoate
380.40
1.9
1
7
91.29
4
(1S,3R,5S,6R)-7,7-dimethyl-2-methylidenebicyclo[3.1.1]heptane-3,6-diol
168.23
0.6
2
2
40.46
0
(1S,2R,5S,9S,10S,11S,12S,13R)-2,11,12-trihydroxy-2,11-dimethyl-6-methylidene-8,14-dioxatetracyclo[8.4.0.01,13.05,9]tetradecan-7-one
296.31
-0.8
3
6
99.52
0
7-[2-(Furan-3-yl)-2-hydroxyethyl]-11-hydroxy-2-(hydroxymethyl)-13-methyl-9-oxatricyclo[5.3.3.01,6]tridec-2-en-8-one
362.40
0.7
3
6
100.13
4
(1R,6S,7R,11R,13R)-7-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-11-hydroxy-2-(hydroxymethyl)-13-methyl-9-oxatricyclo[5.3.3.01,6]tridec-2-en-8-one
362.40
0.7
3
6
100.13
4
5'-(Furan-3-yl)-1-hydroxy-8,8a-bis(hydroxymethyl)-3-methylspiro[1,2,3,4a,5,6-hexahydronaphthalene-4,3'-oxolane]-2'-one
362.40
1.2
3
6
100.13
3
(1R,3R,4R,4aS,5'S,8aR)-5'-(furan-3-yl)-1-hydroxy-8,8a-bis(hydroxymethyl)-3-methylspiro[1,2,3,4a,5,6-hexahydronaphthalene-4,3'-oxolane]-2'-one
362.40
1.2
3
6
100.13
3
Kanshone B
266.33
1.6
1
4
55.76
0
Anepin
362.40
0.1
2
7
105.59
4
Janerin
362.40
0.1
2
7
105.59
4
Chlorohyssopifolin A
435.30
0.8
3
7
113.29
5
Gnaphaloide
364.40
0.9
3
7
113.29
4
(3aR,5S,8R,8aR,9aR)-8-hydroxy-5,8-dimethyl-1-methylidene-4,5,7,8a,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-2-one
248.32
1.8
1
3
46.53
0
(1R,2S,4R,8R,10R,11R,13S)-11-hydroxy-2,11-dimethyl-7-methylidene-5,14-dioxatetracyclo[8.4.0.01,13.04,8]tetradecan-6-one
264.32
1.4
1
4
59.06
0
Bacchotricuneatin A
342.40
3
0
5
65.74
1
Soyasapogenol B 24-O-b-D-glucoside
620.90
4.8
6
8
139.84
4
CID 14021529
456.70
6.4
1
3
49.83
4
4,4,10,13,14-Pentamethyl-17-(4,5,6-trihydroxy-6-methylheptan-2-yl)-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
474.70
5.4
3
4
77.76
5
CID 14021541
488.70
6
2
4
66.76
6
2-Amino-4-hydroxypentanoic acid
133.15
-3.3
3
4
83.55
3
Glaucin B
528.50
1.8
0
10
130.87
3
(1-Methylpyrrolidin-2-yl)acetic acid
143.18
-2
1
3
40.54
2
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