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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
2-[4,5-dihydroxy-2-(hydroxymethyl)-6-[(6E,10Z,14E)-3,7,11,15-tetramethyl-16-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadeca-1,6,10,14-tetraen-3-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
776.90
0.4
10
16
257.68
19
Lyciumoside VI
923.00
-1.3
12
20
316.6
21
Lyciumoside VII
939.00
-1.2
13
21
336.83
22
Lyciumoside IX
716.80
1.7
8
15
242.13
21
1-Hydroxyrutacridone epoxide
339.30
2.1
2
6
84.22
1
Fragransin D3
388.50
4
1
6
66.38
6
Safflor Yellow B
1062.90
-5.4
21
27
511.57
15
Assafoetidin
382.50
4.8
1
4
59.67
6
Aquifoliunine EIII
763.70
-0.1
2
18
246.68
11
N5-(4-Methoxybenzyl)glutamine
266.29
-2.3
3
5
101.65
7
Viniferifuran
452.50
6.1
5
6
114.29
4
Estragonoside
478.40
0.6
7
12
199.51
4
1-alpha-Acevaltrate
480.50
1.8
0
10
126.96
13
11-Deacetylvaltrate 11-(3-hydroxy-3-methylbutanoate)
480.50
1.6
1
9
120.89
13
7,11-Bisdeacetylvaltrate 7-(3-methylpentanoate) 11-(3-hydroxy-3-methylbutanoate)
494.60
2.2
1
9
120.89
14
3-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(4-hydroxyphenyl)chromenylium-5,7-diol
593.60
9
13
230.29
7
(3beta,4alpha,5alpha,24(28)Z)-4,14-Dimethylstigmasta-8,24(28)-dien-3-ol
440.70
9.3
1
1
20.23
5
Pelargonidin 3-O-glucosyl-rutinoside
741.70
12
18
309.44
9
Furomammea D
404.50
4
2
7
106.2
7
Plastoquinone 3
340.50
7.1
0
2
34.14
8
2',4,4',6-Tetrahydroxy-3-methoxy-a-methylchalcone
316.30
3.2
4
6
107.22
4
2-[6-[4,5-Dihydroxy-6-(hydroxymethyl)-2-[5',7,9,13-tetramethyl-5'-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]spiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxolane]-16-yl]oxyoxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
1225.30
-3.6
16
28
434.44
15
(3I(2),22I+/-,25S)-22,25-Epoxy-26-hydroxyfurost-5-en-3-yl O-6-deoxy-I+/--L-mannopyranosyl-(1a4)-O-[O-I(2)-D-glucopyranosyl-(1a3)-I(2)-D-glucopyranosyl-(1a2)]-I(2)-D-glucopyranoside
1063.20
-2
13
23
355.29
12
Irilone 4'-glucoside
460.40
1
5
11
168.28
4
7-Dehydroporiferasterol
410.70
8
1
1
20.23
5
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