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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
(15Z,9'Z)-7,7',8,8',11,12-Hexahydrolycopene
542.90
15.4
0
0
0
19
alpha-Crocetin glucosyl ester
490.50
3.6
5
9
153.75
11
(2Z,4E,6E,8E,10Z,12E,14E)-2,6,11,15-tetramethyl-16-oxo-16-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexadeca-2,4,6,8,10,12,14-heptaenoic acid
652.70
1.5
8
14
232.9
14
1-O-methyl 16-O-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2Z,4E,6E,8E,10Z,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate
504.60
3.9
4
9
142.75
12
Wyerol
260.28
2.4
1
4
59.67
5
Capsianoside VI
923.00
-0.7
12
20
316.6
21
[1-Hydroxy-3-oxo-1-(3,4,5,11,17,18,19,22,23,34,35-undecahydroxy-8,14,26,31-tetraoxo-9,13,25,32-tetraoxaheptacyclo[25.8.0.02,7.015,20.021,30.024,29.028,33]pentatriaconta-1(35),2,4,6,15,17,19,21,23,27,29,33-dodecaen-10-yl)propan-2-yl] 3,4,5-trihydroxybenzoate
934.60
1.1
15
26
459.84
6
Citrusin A
538.50
-0.3
7
12
187.76
12
Citrusin B
568.60
-0.4
7
13
196.99
13
Citrusin F
520.50
-2.7
8
14
225.06
10
Glucinol
342.30
-5.2
8
11
189.53
3
4,5,12-Trihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid
362.40
-0.7
4
7
124.29
1
Pisumic acid
282.33
1
4
5
97.99
4
Lupeoside
721.00
6.2
6
10
158.3
6
14-(3,4,5,11,16,17,18-Heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.3.1.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl)-2,3,4,7,8,9,19-heptahydroxy-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaene-12,17-dione
784.50
0.1
14
22
388.42
1
2'-Hydroxygenistein 7-(6''-malonylglucoside)
534.40
0.2
7
14
233.65
8
Sanguiin H10
1569.10
2.1
25
44
743.84
8
Granatin A
784.50
-1.9
12
22
374.26
0
Mangiferin 6'-gallate
574.40
0.2
10
15
268.04
5
Luteone 7-glucoside
516.50
2.4
7
11
190.28
6
Bersimoside I
1267.40
-0.8
17
28
453.28
15
CID 131752609
342.34
-0.3
5
8
128.84
6
Ichangin 4-glucoside
650.70
-0.8
5
14
214.95
5
Capsianoside G
1403.60
2.5
16
28
442.28
37
2'-Hydroxydaidzein 4',7-diglucoside
594.50
-1.5
9
15
249.2
7
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