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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
3-(hydroxymethyl)-2,4,4-trimethyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexa-2,5-dien-1-one
|
344.36
|
-0.9
|
5
|
8
|
136.68
|
4
|
|
|
(2R,3R,4S,5S,6R)-2-[[(1S,3R,6S,8R,11S,12S,14S,15R,16R)-14-hydroxy-15-[(1S)-1-[(2R,4S)-4-hydroxy-5,5-dimethyloxolan-2-yl]ethyl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
636.90
|
4.4
|
6
|
9
|
149.07
|
5
|
|
|
[(3S,5R)-5-[(1S)-1-[(1S,3R,6S,8R,11S,12S,14S,15R,16R)-14-hydroxy-7,7,12,16-tetramethyl-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]ethyl]-2,2-dimethyloxolan-3-yl] acetate
|
678.90
|
5
|
5
|
10
|
155.14
|
7
|
|
|
[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (1R,3aS,5aR,5bR,7aR,9R,11aS,11bR,12R,13aR,13bR)-9,12-dihydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate
|
943.10
|
1.3
|
11
|
18
|
294.98
|
10
|
|
|
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(1S,2S,7S,10R,11S,14S,15R,16S,17S,18S,20S,23S)-18-hydroxy-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl]oxy]oxane-3,4,5-triol
|
575.80
|
3.5
|
5
|
8
|
122.85
|
3
|
|
|
Corynoxine B
|
384.50
|
2.3
|
1
|
5
|
67.87
|
5
|
|
|
(3R,3aS,6S,6aR)-3,6-bis(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-4-ol
|
370.40
|
2.2
|
1
|
7
|
75.61
|
2
|
|
|
(2S,3S)-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one
|
386.40
|
2.1
|
2
|
8
|
107.59
|
4
|
|
|
(1'S,2R,5'R)-5,7-dihydroxy-6',6'-dimethyl-8-(3-methylbutanoyl)spiro[3,4-dihydrochromene-2,2'-bicyclo[3.1.1]heptane]-6-carbaldehyde
|
386.50
|
5.3
|
2
|
5
|
83.83
|
4
|
|
|
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2S)-2-methylbutoxy]oxane-3,4,5-triol
|
250.29
|
-0.5
|
4
|
6
|
99.38
|
5
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aR,9R,11R,12aS,14aR,14bR)-9-acetyloxy-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2R,3R,4S,5S,6S)-6-carboxy-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
|
1013.10
|
2.9
|
10
|
21
|
335.19
|
11
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9R,11R,12aS,14aR,14bR)-9-acetyloxy-11-carboxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
|
985.10
|
1.5
|
10
|
20
|
318.12
|
11
|
|
|
3-sulfanylidene-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[7-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)prop-2-enoyloxymethyl]oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromenylium-5-yl]oxyoxan-2-yl]methoxy]propanoic acid
|
875.80
|
|
12
|
21
|
375.67
|
15
|
|
|
4-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-oxobutanoic acid
|
711.60
|
|
11
|
18
|
314.12
|
12
|
|
|
1-(Methylsulfinyl)propyl 2-propenyl disulfide
|
210.40
|
1.7
|
0
|
4
|
86.88
|
6
|
|
|
2-Propenyl 1-(2-propenylsulfinyl)propyl disulfide
|
236.40
|
2.4
|
0
|
4
|
86.88
|
8
|
|
|
4-[[(3R,3aS,6S,6aS)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]oxy]-2-methoxyphenol
|
372.40
|
2.8
|
1
|
7
|
75.61
|
4
|
|
|
5-[[(3R,3aS,6S,6aS)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]oxy]-1,3-benzodioxole
|
370.40
|
3
|
0
|
7
|
64.61
|
3
|
|
|
20-Hydroxyrutacridone epoxide
|
339.30
|
2.2
|
2
|
6
|
84.22
|
2
|
|
|
Tataramide B
|
624.70
|
4.9
|
5
|
8
|
146.58
|
12
|
|
|
Methyl 4-methyl-4-(1-methyl-7,8-dioxo-6-propan-2-ylnaphthalen-2-yl)pentanoate
|
342.40
|
4.3
|
0
|
4
|
60.44
|
6
|
|
|
galloyl(-6)Glc(b)-O-Ph(3,5-diOMe,4-OH)
|
484.40
|
0
|
7
|
13
|
204.83
|
8
|
|
|
[3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 2-[5-[[3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxycarbonyl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoate
|
938.70
|
-1.4
|
17
|
26
|
442.66
|
16
|
|
|
[(2S)-2-hydroxy-2-[(2S)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propyl] acetate
|
304.29
|
1.4
|
1
|
6
|
85.97
|
4
|
|
|
10-Hydroxy-9-methoxy-5,6,13,13a-tetrahydro-[1,3]dioxolo[4,5-g] isoquino[3,2-a]isoquinolin-8-one
|
339.30
|
2.4
|
1
|
5
|
68.23
|
1
|
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