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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2R,3R,4S,5S,6R)-2-[4-[(1S,2S,4S,6R,7S,8R,9S,12S,13R,15R,16R)-16-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-15-hydroxy-6-methoxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
949.10
|
-1.1
|
12
|
20
|
316.6
|
14
|
|
|
(2R,3R,4S,5S,6R)-2-[4-[(1R,2S,3S,4R,6R,7S,8R,9S,12S,13R,15R,16R)-16-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,15-dihydroxy-6-methoxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
965.10
|
-2.1
|
13
|
21
|
336.83
|
14
|
|
|
(2R,3R,4S,5S,6R)-2-[(E)-hex-2-enoxy]-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
|
394.40
|
-2.3
|
6
|
10
|
158.3
|
8
|
|
|
(E,4R,6S,7S)-4,6,7-trihydroxy-2,6-dimethyl-8-(7-oxofuro[3,2-g]chromen-4-yl)oxyoct-2-enoic acid
|
418.40
|
1.1
|
4
|
9
|
150.57
|
8
|
|
|
(E,4R,6R,7S)-4,6,7-trihydroxy-2,6-dimethyl-8-(7-oxofuro[3,2-g]chromen-4-yl)oxyoct-2-enoic acid
|
418.40
|
1.1
|
4
|
9
|
150.57
|
8
|
|
|
(E,4R,6S,7R)-4,6,7-trihydroxy-2,6-dimethyl-8-(7-oxofuro[3,2-g]chromen-4-yl)oxyoct-2-enoic acid
|
418.40
|
1.1
|
4
|
9
|
150.57
|
8
|
|
|
Mallotophilippen A
|
498.60
|
6.3
|
5
|
8
|
144.52
|
7
|
|
|
(3S,6S)-3-[(2S)-butan-2-yl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
|
276.33
|
2
|
3
|
3
|
78.43
|
4
|
|
|
(2R,3R,4S,5S,6R)-2-[(3S)-3,7-dimethyloct-6-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
318.41
|
1.6
|
4
|
6
|
99.38
|
8
|
|
|
methyl (1S,4aS,7aS)-1-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
|
696.60
|
-2.7
|
8
|
17
|
260.59
|
13
|
|
|
methyl (1S,4aS,5S,7aS)-1-[(2S,3R,4S,5S,6R)-6-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
|
566.50
|
-2.1
|
7
|
14
|
221.9
|
10
|
|
|
(2S)-4-methyl-2-[(2R)-pyrrolidin-2-yl]-2H-furan-5-one
|
167.20
|
0.8
|
1
|
3
|
38.33
|
1
|
|
|
(1R,7aR)-1-(furan-3-yl)-7a-methyl-6,7-dihydro-1H-cyclopenta[c]pyran-3,5-dione
|
232.23
|
1.2
|
0
|
4
|
56.51
|
1
|
|
|
(1R,7aR)-1-(furan-3-yl)-7a-methyl-6-propan-2-ylidene-1,7-dihydrocyclopenta[c]pyran-3,5-dione
|
272.29
|
2.6
|
0
|
4
|
56.51
|
1
|
|
|
methyl 2-[(1R,3S,7R,8S,9R,12S,13S,17R)-13-(furan-3-yl)-17-hydroxy-6,6,8,12,17-pentamethyl-5,15-dioxo-2,14-dioxatetracyclo[7.7.1.01,12.03,8]heptadecan-7-yl]acetate
|
488.60
|
2.1
|
1
|
8
|
112.27
|
4
|
|
|
[(2S,3R,4S,5R,6R)-6-(acetyloxymethyl)-5-hydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-11-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1163.30
|
-0.8
|
14
|
25
|
400.43
|
15
|
|
|
[(2S,3R,4S,5R,6R)-6-(acetyloxymethyl)-5-hydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-11-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1163.30
|
-0.8
|
14
|
25
|
400.43
|
15
|
|
|
[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-9-(acetyloxymethyl)-11-hydroxy-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1163.30
|
-0.2
|
14
|
25
|
400.43
|
15
|
|
|
[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-9-(acetyloxymethyl)-11-hydroxy-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1163.30
|
-0.2
|
14
|
25
|
400.43
|
15
|
|
|
[(2S,3R,4S,5R,6R)-6-(acetyloxymethyl)-5-hydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-9-(acetyloxymethyl)-11-hydroxy-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1205.30
|
-0.2
|
13
|
26
|
406.5
|
17
|
|
|
(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-[[(1R)-10-hydroxy-9-methoxy-1,3-dimethyl-1H-benzo[g]isochromen-5-yl]oxy]-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
596.60
|
-0.7
|
8
|
14
|
217.22
|
7
|
|
|
[(2R)-7-hydroxy-5-methoxy-2-methyl-2-(4-methylpent-3-enyl)chromen-8-yl]-[(1R,2S,6R)-3-methyl-2-(3-methylbut-2-enyl)-6-phenylcyclohex-3-en-1-yl]methanone
|
540.70
|
9.2
|
1
|
4
|
55.76
|
9
|
|
|
[(2S)-7-hydroxy-5-methoxy-2-methyl-2-(4-methylpent-3-enyl)chromen-8-yl]-[(1R,2S,6R)-3-methyl-2-(3-methylbut-2-enyl)-6-phenylcyclohex-3-en-1-yl]methanone
|
540.70
|
9.2
|
1
|
4
|
55.76
|
9
|
|
|
8-methoxy-7-[[(2R,3R)-3-methyl-3-[[(2S)-4-methylidene-5-oxooxolan-2-yl]methyl]oxiran-2-yl]methoxy]chromen-2-one
|
372.40
|
2.7
|
0
|
7
|
87.5
|
6
|
|
|
7-[[(2R,3R)-3-[[(2S,4R)-4-hydroxy-4-methyl-5-oxooxolan-2-yl]methyl]-3-methyloxiran-2-yl]methoxy]-8-methoxychromen-2-one
|
390.40
|
1.8
|
1
|
8
|
107.73
|
6
|
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