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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
Euphorbadienol
440.70
9.4
1
1
20.23
5
[(E)-2-[(1S,2S,7R)-2-[(E)-4-hydroperoxy-4-methylpent-2-enyl]-5-(hydroxymethyl)-2-methyl-6-oxo-7-(2-oxopropyl)cyclohept-4-en-1-yl]ethenyl] 3-methylbut-2-enoate
448.50
3
2
7
110.13
11
Aceroside B1
460.50
2.6
5
8
128.84
3
Lycernuic ketone C
472.70
5.8
3
4
77.76
1
3-Deoxy-1beta,20-dihydroxyecdysone
480.60
0.5
6
7
138.45
5
Pentylbenzene
148.24
5
0
0
0
4
6'-O-beta-D-Glucosylgentiopicroside
518.50
-3.4
7
14
214.06
7
[(1S,4aR,5S,6R,7S,7aS)-6,7-dihydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-5-yl] 4-hydroxy-3-methoxybenzoate
530.50
-1.8
8
14
225.06
8
(2R,3R,5S,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,5-dihydroxy-6-[[(12R)-4-hydroxy-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),15,18-hexaen-12-yl]oxy]oxan-4-one
590.60
1.4
6
12
184.6
6
13-O-Deacetyltaxumairol Z
604.60
-1
5
12
189.28
9
[(3S,5aS,6S,7S,9aS)-6-[2-[(5aS,6S,7R,9aS)-7-acetyloxy-2,2,5a,7-tetramethyl-3-oxo-4,5,6,8,9,9a-hexahydrobenzo[b]oxepin-6-yl]ethyl]-7-acetyloxy-2,2,5a,7-tetramethyl-4,5,6,8,9,9a-hexahydro-3H-benzo[b]oxepin-3-yl] acetate
634.80
5.4
0
9
114.43
9
23-O-Acetylshengmanol-3-o-alpha-L-arabinoside
662.80
4.2
4
10
155.28
8
Bacopaside IV
767.00
3.1
7
13
196.99
6
1-[(3S,8R,9S,10R,13S,14S)-3-[(2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-3,5-bis[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]oxan-2-yl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methoxyethanone
798.90
-0.5
8
16
243.52
10
(1R,9R,10S,11R,12S)-1-hydroxy-N-[4-[[(E)-4-hydroxy-2-methylbut-2-enoyl]amino]butyl]-3,5-dimethoxy-9-(4-methoxyphenyl)-10-phenyl-12-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-11-carboxamide
808.90
1
8
14
234.96
16
Epicatechin-(4beta->6)-epicatechin-(4beta->8)-epicatechin
866.80
3.3
15
18
331.14
5
3-[(2S,3R,4S,5R,6R)-6-[[(2R,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
872.80
-3.6
13
23
367.04
10
rotundifolioside I
897.10
2.3
9
16
246.68
7
(2S,3R,4S,5R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6R)-2-[[(1S,2R,4S,5R,8R,10S,13S,14R,17S,18R,19S,20S,21S)-2,21-dihydroxy-4,5,9,9,13,19,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-4,5-dihydroxy-6-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
913.10
1.1
10
17
266.91
7
CID 10866150
1251.40
-3.2
15
28
431.28
14
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-[[(1S,2S,4S,6R,7S,8R,9S,12S,13R,16S)-6-methoxy-7,9,13-trimethyl-6-[(3S)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
1387.50
-3.9
18
32
493.36
21
6-Octenal, 7-methyl-3-methylene-
152.23
3
0
1
17.07
5
4-[(1S)-1-hydroxyethyl]phenol
138.16
0.2
2
2
40.46
1
(2S)-1-[(2S,6R)-6-methylpiperidin-2-yl]propan-2-ol
157.25
1.2
2
2
32.26
2
8-Methoxynaphthalene-1-ol
174.20
2.8
1
2
29.46
1
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