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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(9Z)-lycopene
|
536.90
|
15.6
|
0
|
0
|
0
|
16
|
|
|
Hypochoeroside A
|
428.50
|
-0.7
|
5
|
9
|
145.91
|
3
|
|
|
Capsicoside C1
|
889.00
|
0.2
|
10
|
18
|
276.14
|
8
|
|
|
1,10-Epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide
|
280.32
|
0.1
|
2
|
5
|
79.29
|
0
|
|
|
2'-(4-Hydroxyphenylacetyl)-6'-(4-hydroxy-3-methylbutanoyl)-phloroacetophenone 4'-[rhamnosyl-(1->2)-glucoside]
|
710.70
|
-0.9
|
8
|
17
|
268.43
|
15
|
|
|
9,10,11-Trihydroxyumbelliprenin
|
416.50
|
3.8
|
3
|
6
|
100.13
|
10
|
|
|
[3-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
|
464.40
|
0.5
|
7
|
11
|
186.37
|
8
|
|
|
11b,13-Dihydrolactucin
|
292.33
|
-0.1
|
2
|
5
|
83.83
|
1
|
|
|
8'-Apo-b-caroten-8'-ol
|
418.70
|
9.5
|
1
|
1
|
20.23
|
9
|
|
|
Petunidin 3-rhamnoside
|
447.40
|
|
6
|
9
|
160.37
|
4
|
|
|
(not+/-)-trans-Nerolidol
|
194.31
|
3.7
|
1
|
1
|
20.23
|
7
|
|
|
Pelargonidin 3-O-sambubioside
|
565.50
|
|
9
|
13
|
230.29
|
6
|
|
|
Protocatechuic acid 4-glucoside
|
316.26
|
-1.8
|
6
|
9
|
156.91
|
4
|
|
|
(24E)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-enoyl-CoA
|
1194.10
|
1.3
|
8
|
27
|
497.35
|
24
|
|
|
(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonatooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-N-[3-[2-[(Z,6R)-6-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoyl]sulfanylethylimino]-3-oxidopropyl]-2-hydroxy-3,3-dimethylbutanimidate
|
1178.10
|
2.7
|
7
|
26
|
477.12
|
24
|
|
|
(24R,25R)-3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestanoyl CoA
|
1212.10
|
0.3
|
9
|
28
|
517.58
|
25
|
|
|
(24R,25R)-3alpha,7alpha,24-trihydroxy-5beta-cholestanoyl CoA
|
1196.10
|
1.7
|
8
|
27
|
497.35
|
25
|
|
|
(R+)-3-(4-hydroxyphenyl)lactate
|
181.16
|
1.4
|
2
|
4
|
80.59
|
3
|
|
|
[hydroxy-[(1R,2R,3S,4R,5R,6R)-3-[oxido(phosphonatooxy)phosphoryl]oxy-2,4,5,6-tetraphosphonatooxycyclohexyl]oxyphosphoryl] phosphate
|
806.89
|
-13.5
|
1
|
30
|
608.89
|
10
|
|
|
N-[(1R,2S,3R,4R,5R)-3-[(1R)-1-carboxyethoxy]-2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]ethanimidate
|
274.25
|
-0.6
|
2
|
8
|
120.64
|
4
|
|
|
CID 157010140
|
414.50
|
2.3
|
2
|
6
|
85.13
|
4
|
|
|
5,7-Dihydroxy-3-(6-hydroxy-1,3-benzodioxol-5-yl)chromen-4-one
|
314.25
|
2.5
|
3
|
7
|
109.36
|
1
|
|
|
5-(1-Carboxylatoethenoxy)-2-(3-carboxylatopropanoyl)-6-hydroxycyclohex-2-ene-1-carboxylate
|
325.25
|
1.7
|
1
|
9
|
166.92
|
5
|
|
|
[5-(6-Aminopurin-9-yl)-2-[[[[4-[[3-[2-[4-(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-3-hydroxypentanoyl]sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] phosphate
|
1134.00
|
-1.3
|
6
|
24
|
466.98
|
23
|
|
|
[5-(6-Aminopurin-9-yl)-2-[[[[4-[[3-[2-[6-(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-3-hydroxy-2-methylheptanoyl]sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] phosphate
|
1176.10
|
0
|
6
|
24
|
466.98
|
25
|
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