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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[6-Hydroxy-8-(4-hydroxy-3-methoxyphenyl)octan-4-yl] acetate
|
310.40
|
3.1
|
2
|
5
|
75.99
|
10
|
|
|
(1R,2S,4aS,7S,10aR)-7-ethenyl-2-hydroxy-1-(hydroxymethyl)-1,4a,7-trimethyl-2,3,4,5,6,8,10,10a-octahydrophenanthren-9-one
|
318.40
|
3.4
|
2
|
3
|
57.53
|
2
|
|
|
Erythrartine
|
329.40
|
1
|
1
|
5
|
51.16
|
3
|
|
|
4-[(2S,3S,4S,5S)-5-(3-hydroxy-4-methoxyphenyl)-3,4-dimethyloxolan-2-yl]benzene-1,2-diol
|
330.40
|
3.4
|
3
|
5
|
79.15
|
3
|
|
|
(1R,3R,5R,8R,10R,12R)-5,12-bis(prop-1-en-2-yl)-2,9-dioxatetracyclo[6.6.2.01,10.03,8]hexadecane-3,10-diol
|
334.40
|
3.3
|
2
|
4
|
58.92
|
2
|
|
|
beta-(1->6)-Galactobiose
|
342.30
|
-4.7
|
8
|
11
|
189.53
|
4
|
|
|
(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[(2R)-2-(4-hydroxyphenyl)-2-methoxyethyl]prop-2-enamide
|
343.40
|
2.3
|
3
|
5
|
88.02
|
7
|
|
|
(e)-3-((2s,3r)-2-(3,4-Dihydroxyphenyl)-7-hydroxy-3-(hydroxymethyl)-2,3-dihydrobenzofuran-5-yl)acrylic acid
|
344.30
|
1.5
|
5
|
7
|
127.45
|
4
|
|
|
Methyl Carnosate
|
346.50
|
5.2
|
2
|
4
|
66.76
|
3
|
|
|
[(3aR,4S,5R,7R,8aS)-3a,4-dihydroxy-4-methyl-1-methylidene-8-oxo-7-propan-2-yl-2,3,5,6,7,8a-hexahydroazulen-5-yl] (Z)-2-methylbut-2-enoate
|
350.40
|
2.2
|
2
|
5
|
83.83
|
4
|
|
|
methyl (1R,4S,5R,9S,10S,12S,13R,15S)-12-acetyloxy-15-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
|
390.50
|
3.5
|
1
|
5
|
72.83
|
4
|
|
|
5,9-Epi-7,8-didehydropenstemoside
|
404.40
|
-2.7
|
6
|
11
|
175.37
|
5
|
|
|
[(1S,4aR,5S,6aR,11aS,11bS)-5-acetyloxy-4a-hydroxy-4,4,11b-trimethyl-7-methylidene-1,2,3,5,6,6a,11,11a-octahydronaphtho[2,1-f][1]benzofuran-1-yl] acetate
|
416.50
|
3.3
|
1
|
6
|
85.97
|
4
|
|
|
(1S,4aS,6S,7R,7aS)-1-[(2S,3R,4S,5R,6R)-4-acetyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
|
418.40
|
-1.1
|
5
|
11
|
172.21
|
6
|
|
|
1-[4-Hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
|
242.23
|
-1.2
|
3
|
5
|
104.55
|
2
|
|
|
2'-Methylacetophenone
|
134.17
|
2
|
0
|
1
|
17.07
|
1
|
|
|
(Z,6S)-2-methyl-6-[(5R,9R,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]hept-2-enoic acid
|
454.70
|
7.6
|
1
|
3
|
54.37
|
5
|
|
|
[(E)-2-[(2R,3aS,8S,9R,9aS)-8-[(E)-4-hydroperoxy-4-methylpent-2-enyl]-2-methoxy-2,8-dimethyl-3a,5,7,9-tetrahydro-3H-furo[2,3-i][2]benzofuran-9-yl]ethenyl] 3-methylbut-2-enoate
|
462.60
|
3.1
|
1
|
7
|
83.45
|
9
|
|
|
Petunidin-3-galactoside
|
479.40
|
|
8
|
11
|
200.83
|
5
|
|
|
Styraxjaponoside B
|
534.60
|
1.8
|
4
|
11
|
153.37
|
10
|
|
|
(2R,3R,4S,5S,6R)-2-[(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13R,16S,18S,19S)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-19-yl]oxy-6-methyloxane-3,4,5-triol
|
578.80
|
4.1
|
4
|
8
|
117.84
|
2
|
|
|
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13S,14R,16R,18S)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-14-yl]oxyoxane-3,4,5-triol
|
594.80
|
3.9
|
5
|
9
|
138.07
|
3
|
|
|
cyclo[Gly-Gly-D-Pro-D-Trp-D-Tyr-D-Pro]
|
657.70
|
1.2
|
6
|
7
|
193.04
|
4
|
|
|
Marsdenoside F
|
752.90
|
1.9
|
2
|
14
|
178.04
|
11
|
|
|
Sapinmusaponin D
|
815.00
|
2.3
|
9
|
14
|
228.22
|
10
|
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