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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Dihydrodehydrodiconiferyl alcohol 9-O-|A-L-rhamnopyranoside
|
506.50
|
1
|
5
|
10
|
147.3
|
9
|
|
|
(4aR,6aS,6bS,8aS,12aS,14aR,14bR)-4,4,6a,6b,8a,9,9,14b-octamethyl-2,4a,5,7,8,10,11,12,12a,13,14,14a-dodecahydro-1H-picen-3-one
|
424.70
|
8.8
|
0
|
1
|
17.07
|
0
|
|
|
(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,4,6a,6b,8a,9,9,14b-octamethyl-1,2,3,4a,5,6,7,8,10,11,12,12a,14,14a-tetradecahydropicen-3-ol
|
426.70
|
9.2
|
1
|
1
|
20.23
|
0
|
|
|
methyl (1S,2R,3R,4R,8R,9S,10R,13R,15R)-2-hydroxy-13-(2-hydroxy-5-oxo-2H-furan-4-yl)-9-(2-methoxy-2-oxoethyl)-4,8,10,12-tetramethyl-7-oxo-16-oxatetracyclo[8.6.0.03,8.011,15]hexadeca-5,11-diene-4-carboxylate
|
530.60
|
0.4
|
2
|
10
|
145.66
|
6
|
|
|
methyl 2-[(1S,2R,8R,9S,10R,13R)-13-(furan-3-yl)-2-hydroxy-4,8,10,12-tetramethyl-7-oxo-16-oxatetracyclo[8.6.0.03,8.011,15]hexadeca-4,11-dien-9-yl]acetate
|
440.50
|
1.5
|
1
|
6
|
85.97
|
4
|
|
|
6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-(4-hydroxyphenyl)-2,3-dihydropyran-4-one
|
338.40
|
3
|
2
|
5
|
75.99
|
4
|
|
|
(E)-oct-2-en-3-ol
|
128.21
|
3
|
1
|
1
|
20.23
|
4
|
|
|
methyl (1S,4aS,5R,7aS)-7-(acetyloxymethyl)-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
|
446.40
|
-2.9
|
5
|
12
|
181.44
|
8
|
|
|
(2R,3S)-8-[(2R,3S,4S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-chromen-4-yl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
|
724.70
|
1.1
|
12
|
16
|
279.68
|
6
|
|
|
(2R,3R,4S,5R,6S)-2-methyl-6-[6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]oxyoxane-3,4,5-triol
|
368.50
|
2.7
|
3
|
5
|
79.15
|
6
|
|
|
[(4aS,5R,11bS)-4,4,7,11b-tetramethyl-1,2,3,4a,5,6-hexahydronaphtho[2,1-f][1]benzofuran-5-yl] acetate
|
340.50
|
6.1
|
0
|
3
|
39.44
|
2
|
|
|
(2R,3R)-2-hydroxy-4-methoxy-1-methyl-6-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2H-pyridine-3-carbonitrile
|
360.32
|
-2.9
|
5
|
10
|
172.94
|
4
|
|
|
(2S,3R)-2-hydroxy-4-methoxy-6-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2-dihydropyridine-3-carbonitrile
|
346.29
|
-3.1
|
6
|
10
|
181.73
|
4
|
|
|
(2S,3R)-2-hydroxy-4-methoxy-1-methyl-6-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2H-pyridine-3-carboxamide
|
378.33
|
-3.8
|
6
|
10
|
192.24
|
5
|
|
|
(Z)-4-cyano-3-methoxy-N-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-3-enamide
|
332.31
|
-2.5
|
5
|
9
|
161.5
|
6
|
|
|
5,7-dihydroxy-8-[(E)-4-hydroxy-3-methylbut-2-enyl]-2-methylchromen-4-one
|
276.28
|
2.4
|
3
|
5
|
90.9
|
3
|
|
|
methyl (2S)-2-[(1S,2R,3S,4R,7S,8S,12R,14R,16R,17R,18S)-1-acetyloxy-8-(furan-3-yl)-3-hydroxy-7,16,18-trimethyl-10,15-dioxo-9,13-dioxahexacyclo[14.2.1.02,14.03,12.04,18.07,12]nonadecan-17-yl]-2-hydroxyacetate
|
558.60
|
0.6
|
2
|
11
|
158.8
|
6
|
|
|
[(4aR,5R,6R,6aS,7R,11aR,11bR)-4a,6-dihydroxy-4,4,7,11b-tetramethyl-2,3,5,6,6a,7,9,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-5-yl] (E)-3-phenylprop-2-enoate
|
464.60
|
4.6
|
2
|
5
|
75.99
|
4
|
|
|
[(4aR,5R,6aS,7R,11aR,11bR)-4a-hydroxy-4,4,7,11b-tetramethyl-2,3,5,6,6a,7,9,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-5-yl] benzoate
|
422.60
|
5.2
|
1
|
4
|
55.76
|
3
|
|
|
[(4aR,5R,6R,6aS,7R,11aR,11bR)-4a,6-dihydroxy-4,4,7,11b-tetramethyl-2,3,5,6,6a,7,9,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-5-yl] benzoate
|
438.60
|
4.2
|
2
|
5
|
75.99
|
3
|
|
|
(1S,3R,8R,11S,12S,15R,16S)-7,7,12-trimethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]-6-oxopentacyclo[9.7.0.01,3.03,8.012,16]octadecane-16-carboxylic acid
|
468.70
|
8.5
|
1
|
3
|
54.37
|
6
|
|
|
(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
|
180.16
|
-2.9
|
5
|
6
|
118.22
|
5
|
|
|
3-(6,7-Dimethoxy-2-oxochromen-3-yl)-6,7-dimethoxychromen-2-one
|
410.40
|
3.4
|
0
|
8
|
97.34
|
5
|
|
|
7-[(2E)-3,7-dimethyl-6-oxoocta-2,7-dienoxy]-1,3-dihydroxyxanthen-9-one
|
394.40
|
4.8
|
2
|
6
|
96.97
|
7
|
|
|
3-[(2E)-3,7-dimethyl-6-oxoocta-2,7-dienoxy]-1,7-dihydroxyxanthen-9-one
|
394.40
|
4.8
|
2
|
6
|
96.97
|
7
|
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