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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1S,2R,4aS,6aR,6aS,6bR,8aS,10R,12aR,14bR)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
|
456.70
|
7.3
|
2
|
3
|
57.53
|
1
|
|
|
(1R,4aS,7R,8aS)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-ol
|
240.38
|
3
|
2
|
2
|
40.46
|
1
|
|
|
methyl (1S,3S,4aS,8S,8aS)-3-hydroxy-1-methyl-8-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,4a,8,8a-hexahydropyrano[3,4-c]pyran-5-carboxylate
|
406.40
|
-1.8
|
5
|
11
|
164.37
|
5
|
|
|
Clemastanin A
|
508.50
|
0
|
7
|
11
|
178.53
|
9
|
|
|
5-hydroxy-7-methoxy-3-[4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
|
446.40
|
1.2
|
5
|
10
|
159.05
|
5
|
|
|
7-[(2R,3S,4R,5R,6S)-3-[(2S,3S,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
|
564.50
|
-0.4
|
8
|
14
|
228.97
|
7
|
|
|
(1R,4E,7R,9S)-4-(1H-imidazol-5-ylmethylidene)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
|
389.40
|
3
|
3
|
4
|
90.12
|
3
|
|
|
(1S,2R,8R,15R)-15-hydroxy-13-oxa-7-azatetracyclo[6.5.2.01,10.02,7]pentadec-10-en-12-one
|
235.28
|
0.2
|
1
|
4
|
49.77
|
0
|
|
|
[(2S,3R,4R,5S,6S)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
|
478.40
|
0.6
|
7
|
11
|
186.37
|
9
|
|
|
(1R,3aS,4R,8aR)-1,4-dimethyl-7-propan-2-yl-2,3,3a,5,6,8a-hexahydroazulene-1,4-diol
|
238.37
|
2.1
|
2
|
2
|
40.46
|
1
|
|
|
(5R,6S,7R)-5-(4-hydroxy-3-methoxyphenyl)-6,7-bis(hydroxymethyl)-5,6,7,8-tetrahydronaphthalene-2,3-diol
|
346.40
|
1.7
|
5
|
6
|
110.38
|
4
|
|
|
(1S,4aS,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
|
390.34
|
-3.8
|
7
|
11
|
186.37
|
5
|
|
|
(2S,3S,4R,5R,6S)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
316.30
|
-0.8
|
6
|
8
|
139.84
|
5
|
|
|
2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
464.40
|
0.4
|
8
|
12
|
210.51
|
4
|
|
|
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
|
624.50
|
-1
|
9
|
16
|
258.43
|
7
|
|
|
5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
432.40
|
-0.1
|
6
|
10
|
170.05
|
4
|
|
|
Splendoside
|
406.40
|
-2.7
|
6
|
11
|
175.37
|
6
|
|
|
galloyl(-3)[galloyl(-6)]L-Glc(b)-O-galloyl
|
636.50
|
0.4
|
11
|
18
|
310.66
|
10
|
|
|
(3R,4aR,6aS,6bR,8aR,12aR,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a-dodecahydropicen-3-ol
|
424.70
|
8.9
|
1
|
1
|
20.23
|
0
|
|
|
(1S,2R,5S,6R,7R,8R)-6-(hydroxymethyl)-2,6,8-trimethyltricyclo[5.3.1.01,5]undecan-8-ol
|
238.37
|
2.7
|
2
|
2
|
40.46
|
1
|
|
|
(4S)-4-Hydroxy-3,5,5-trimethyl-4-[(1E,3E)-3-methyl-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypenta-1,3-dienyl]cyclohex-2-en-1-one
|
412.50
|
-0.2
|
5
|
8
|
136.68
|
6
|
|
|
(2R,3R,4R,5S,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
|
462.40
|
0.8
|
7
|
12
|
207.35
|
4
|
|
|
Metasequoic acid A
|
302.50
|
5.8
|
1
|
2
|
37.3
|
4
|
|
|
5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
|
514.50
|
3.5
|
5
|
10
|
159.05
|
6
|
|
|
(2S,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
|
450.40
|
0.2
|
7
|
11
|
186.37
|
4
|
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