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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',3,5-Trihydroxy-5',7-dimethoxyflavanone
332.30
2.1
3
7
105.45
3
[6-[2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate
918.80
-0.8
13
23
374.88
13
Quercetin 3-(6'''-p-coumarylglucosyl)(1->2)-rhamnoside 7-glucoside
918.80
-0.8
13
23
374.88
13
trans-3-Feruloylcorosolic acid
648.90
8.6
3
7
113.29
6
Peonidin 3-caffeoyl sophoroside-5-glucoside
949.80
14
23
385.43
15
Neoliquiritin 2''-apioside
550.50
-0.8
7
13
204.83
7
Degalloyltheaflavonin
784.60
0.8
15
20
361.35
6
Aromadendrin 3,7-diglucoside
612.50
-1.6
10
16
265.52
7
Aromadendrin 4'-methyl ether 7-rhamnoside
448.40
0.9
5
10
155.14
4
[6]-Gingerdiol 3-acetate
338.40
4.2
2
5
75.99
12
2-O-p-Coumaroylhydroxycitric acid
354.26
-0.3
5
10
178.66
9
2-O-Feruloylhydroxycitric acid
384.29
-0.3
5
11
187.89
10
Kanzonol J
422.50
5.2
1
5
57.15
2
Kanzonol G
438.50
6.4
3
6
96.22
6
3'-(2''-Galloylglucosyl)-phloroacetophenone
482.40
-0.2
9
13
234.67
6
3'-(6''-Galloylglucosyl)-phloroacetophenone
482.40
-0.8
9
13
234.67
6
3'-(2'',3''-Digalloylglucosyl)-phloroacetophenone
634.50
1
11
17
301.43
9
3'-(2'',6''-Digalloylglucosyl)-phloroacetophenone
634.50
0.4
11
17
301.43
9
2'',3'',6''-Tris-O-(3,4,5-trihydroxybenzoyl)-3'-Glucosyl-2',4',6'-trihydroxyacetophenone
786.60
1.6
13
21
368.19
12
3'-(2'',3'',4'',6''-Tetrakisgalloylglucosyl)-phloroacetophenone
938.70
2.7
15
25
434.95
15
Pratenol A
260.24
0.6
2
5
75.99
1
Pratenol B
304.25
0.6
3
7
121.13
5
1-Methoxy-4-[6-methyl-4-(2-methyl-1-propenyl)-1,5,7-octatrienyl]benzene, 9CI
282.40
6.6
0
1
9.23
7
Juvocimene 2
298.40
5.3
0
2
21.76
7
3-trans-Caffeoyltormentic acid
650.80
6.9
5
8
144.52
5
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