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Physicochemical properties (MW, LogP) of all entries.
| 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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