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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
(3,4,5,12,13,21,22,23-Octahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-11-yl) 3,4,5-trihydroxybenzoate
634.50
0.1
11
18
310.66
3
[(1R,3S,6S)-1,5,5-trimethyl-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1S,4S,6R)-2,2,6-trimethyl-4-tetradecanoyloxy-7-oxabicyclo[4.1.0]heptan-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-7-oxabicyclo[4.1.0]heptan-3-yl] tetradecanoate
1021.60
23.4
0
6
77.66
38
[(1R,3S,6S)-1,5,5-trimethyl-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1S,4S,6R)-2,2,6-trimethyl-4-tetradecanoyloxy-7-oxabicyclo[4.1.0]heptan-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-7-oxabicyclo[4.1.0]heptan-3-yl] hexadecanoate
1049.60
24.5
0
6
77.66
40
ganoderal A
436.70
6.9
0
2
34.14
5
ganoderol A
438.70
7.1
1
2
37.3
5
ganoderol B
440.70
7.4
2
2
40.46
5
cis-Zeatin riboside
351.36
-0.1
5
9
145.78
6
7-(Acetyloxymethyl)-5-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
432.40
-3.2
6
12
192.44
7
Ruscin(P)
869.00
-0.1
9
17
255.91
7
Eurycomanone
408.40
-2.8
5
9
153.75
0
(1R,4R,5R,6S,7R,8R,11R,13S,17S,18S,19R)-4,5,7,8,17-pentahydroxy-14,18-dimethylspiro[3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-6,2'-oxirane]-9,16-dione
424.40
-3.2
5
10
166.28
0
13-alpha-(21)-Epoxyeurycomanone
424.40
-3.2
5
10
166.28
0
13,21-Dihydroeurycomanone
410.40
-2
5
9
153.75
0
(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-5-ethylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
400.70
9.3
1
1
20.23
6
6-({[3,4,5-Trihydroxy-6-({[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxane-2,3,4,5-tetrol
666.60
-9
14
21
347.83
10
cis-N-p-coumaroyltyramine
283.32
2.7
3
3
69.56
5
Monomethylphylodulcin
300.30
3.5
1
5
64.99
3
Arctinol A
234.30
2.9
1
3
76.71
3
5-(1-Propynyl)-5'-vinyl-2,2'-bithiophene
230.40
4.6
0
2
56.48
3
5'-Isovaleryloxymethyl-5-(4-isovaleryloxy-but-1-ynyl)-2,2'-bithiophene
432.60
5.8
0
6
109.08
12
Agehoustin E
418.40
3.2
1
9
105.82
7
Agehoustin F
404.40
2.9
2
9
116.82
6
Agehoustin G
388.40
3.2
1
8
96.59
6
6-Hydroxy-3,5,7,4'-tetramethoxyflavone
358.30
2.9
1
7
87.36
5
2-(2,5-Dihydroxyphenyl)-6-hydroxy-3,5,7-trimethoxychromen-4-one
360.30
2.2
3
8
118.59
4
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