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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2S,3R,4S,5R)-2-[[(3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]oxane-3,4,5-triol
|
590.80
|
4.9
|
5
|
7
|
119.61
|
3
|
|
|
Salannal
|
612.70
|
3.4
|
1
|
10
|
138.57
|
10
|
|
|
methyl (1S,4aR,6S,7R,7aS)-7-acetyloxy-4a-hydroxy-7-methyl-6-[(E)-3-phenylprop-2-enoyl]oxy-1-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
|
762.70
|
1.8
|
1
|
18
|
232.02
|
19
|
|
|
methyl (1S,4aR,6S,7R,7aS)-4a,7-dihydroxy-7-methyl-6-[(E)-3-phenylprop-2-enoyl]oxy-1-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
|
720.70
|
1.3
|
2
|
17
|
225.95
|
17
|
|
|
[(1R,2S,4aR,6aR,7S,10aR,11aS,11bS)-1-acetyloxy-4a,7,10a-trihydroxy-4,4,7,11b-tetramethyl-9-oxo-1,2,3,5,6,6a,11,11a-octahydronaphtho[2,1-f][1]benzofuran-2-yl] acetate
|
466.50
|
0.6
|
3
|
9
|
139.59
|
4
|
|
|
(1S,3R,4aS,6aS,10aR,10bR)-3-ethenyl-1-hydroxy-3,4a,7,7,10a-pentamethyl-1,2,5,6,6a,9,10,10b-octahydrobenzo[f]chromen-8-one
|
320.50
|
3.1
|
1
|
3
|
46.53
|
1
|
|
|
(1R,3R,4aS,6aS,10aR,10bR)-3-ethenyl-1-hydroxy-3,4a,7,7,10a-pentamethyl-1,2,5,6,6a,9,10,10b-octahydrobenzo[f]chromen-8-one
|
320.50
|
3.1
|
1
|
3
|
46.53
|
1
|
|
|
(4aS,5R,8aS)-5-[(E)-5-hydroxy-3-methylpent-3-enyl]-1,1,4a-trimethyl-6-methylidene-3,4,5,7,8,8a-hexahydronaphthalen-2-one
|
304.50
|
4.2
|
1
|
2
|
37.3
|
4
|
|
|
(1R,3R,7S,9R)-4,11,11-trimethyl-8-methylidene-10-oxatricyclo[7.2.1.03,7]dodec-4-ene
|
218.33
|
2.4
|
0
|
1
|
9.23
|
0
|
|
|
Guaia-3,10(14)-dien-11-ol
|
220.35
|
2.5
|
1
|
1
|
20.23
|
1
|
|
|
(1S,2S,6S,7S,9R,13S,17S)-4-methoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-4,14-diene-3,11,16-trione
|
358.40
|
2.2
|
0
|
5
|
69.67
|
1
|
|
|
(1S,2S,4S,6R,7S,9R,13S,17S)-4-methoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-14-ene-3,11,16-trione
|
360.40
|
2
|
0
|
5
|
69.67
|
1
|
|
|
[(1S,2S,4S,7S,8R,9S,10S,11R,12R,18S,19R,20S)-9,10,20-triacetyloxy-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-5,15-dioxo-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icos-13-en-19-yl] acetate
|
672.70
|
2.7
|
0
|
14
|
183.47
|
9
|
|
|
Heterophylol
|
408.50
|
6.1
|
1
|
4
|
47.92
|
4
|
|
|
N-Caffeoylalanine
|
327.30
|
2.3
|
4
|
5
|
106.86
|
6
|
|
|
Caffeoyltryptophan
|
366.40
|
2
|
5
|
5
|
122.65
|
6
|
|
|
(2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-6-hydroxy-4-methoxy-5-methyl-1-benzofuran-3-one
|
314.29
|
2.9
|
3
|
6
|
96.22
|
2
|
|
|
2-Propanol,1-chloro-3-[(phenylmethyl)amino]-
|
199.68
|
1.3
|
2
|
2
|
46.25
|
4
|
|
|
(S)-8-Prenylphaseollinisoflavan
|
392.50
|
5.8
|
2
|
4
|
58.92
|
3
|
|
|
Hispaglabridin B
|
390.50
|
5.2
|
1
|
4
|
47.92
|
1
|
|
|
3'-Methoxyglabradin
|
354.40
|
3.9
|
2
|
5
|
68.15
|
2
|
|
|
beta Farnesene
|
206.37
|
6.2
|
0
|
0
|
0
|
7
|
|
|
3-Dodecanone
|
184.32
|
4.6
|
0
|
1
|
17.07
|
9
|
|
|
3,4-Dihydroxy-2,5-bis(3-methylbut-2-enyl)benzaldehyde
|
274.35
|
4.5
|
2
|
3
|
57.53
|
5
|
|
|
Gulonic acid
|
196.16
|
-3.4
|
6
|
7
|
138.45
|
5
|
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