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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
Notoamide A
463.50
1.8
2
5
99.18
0
(2S,3R,4S)-4-(carboxymethyl)-3-ethenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid
536.50
-0.1
6
13
209.51
11
[(2S,3S,4S,5R,6S)-6-[(2S,3S,4S,5S,6S)-6-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-4,5-dihydroxy-2-[7-hydroxy-2-(4-hydroxyphenyl)-5-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
1081.90
15
25
422.73
18
methyl (1R,4R,8S,10S,11E,14S)-11-ethylidene-12-oxo-7,9,13-trioxatetracyclo[6.5.1.01,10.04,14]tetradeca-2,5-diene-5-carboxylate
290.27
0.8
0
6
71.06
2
methyl (1R,4R,8S,10S,11Z,14S)-11-ethylidene-12-oxo-7,9,13-trioxatetracyclo[6.5.1.01,10.04,14]tetradeca-2,5-diene-5-carboxylate
290.27
0.8
0
6
71.06
2
Methylseleno carboxypropylglutamine
325.23
4
6
129.72
9
7-[(2S,3R,4S,5R,6R)-6-[[(2R,3S,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-3-(4-methoxyphenyl)chromen-4-one
578.50
-0.6
7
14
217.97
8
Peimisine
427.60
2.7
2
4
58.56
0
Agrimoniin
1871.30
4.2
29
52
877.36
8
[Epicatechin-(4beta->8)]5-epicatechin
1731.50
6.2
30
36
662.28
11
Gemin A
1873.30
4.5
29
52
877.36
14
Mallotusinic acid (undefined stereochemistry)
1120.70
-0.2
17
32
537.24
6
Rugosin D
1875.30
3.6
29
52
877.36
20
Carperitide
3080.50
-14.9
53
48
1479.28
75
Punicacortein C
1084.70
0.9
18
30
529.76
1
[1-(3,4,5,11,17,18,19-Heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl)-3-oxo-1-(3,4,5-trihydroxybenzoyl)oxypropan-2-yl] 2-[[11,37-diformyl-4,5,6,14,21,22,25,26,30,31,32,44,45,46,49,50,56-heptadecahydroxy-9,17,35,41,53,59-hexaoxo-12,38-bis[(3,4,5-trihydroxybenzoyl)oxy]-2,10,16,28,36,40,54,60-octaoxanonacyclo[37.11.6.413,27.03,8.018,23.029,34.042,47.048,52.024,58]hexaconta-1(50),3,5,7,18,20,22,24,26,29,31,33,42,44,46,48,51,57-octadecaen-20-yl]oxy]-3,4,5-trihydroxybenzoate
2353.60
2.7
36
66
1122.78
19
(7,8,9,12,13,14,28,29,30,33,34,35-Dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-20-yl) 2-[5-[(7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-20-yl)oxycarbonyl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoate
1871.30
4.2
29
52
877.36
8
Rugosin E
1723.20
2.2
27
48
818.44
20
Nobotanin B
1873.30
4
29
52
877.36
15
Cinnamtannin A3
1443.30
5.2
25
30
551.9
9
Gallotannin
1701.20
6.2
25
46
777.98
31
(+)-Maackiain
284.26
2.5
1
5
57.15
0
Oenothein B
1569.10
2.4
24
44
732.84
6
Miyabenol A
906.90
10
9
12
209.76
8
CID 16129869
1084.70
1.7
17
30
518.76
0
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