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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(2R,3S,4R,5R,6S)-3-[(2R,3S,4S,5R,6S)-5-[(2S,3S,4S,5R,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5R,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl] (2R,3R,6R)-6-[(3S,8S,9R,10R,13S,14S,17S)-10,13-dimethyl-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2,3-dimethylheptanoate
|
1565.60
|
-6
|
23
|
38
|
611.58
|
27
|
|
|
[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,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-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl] (2S,3R,6R)-6-[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2,3-dimethylheptanoate
|
1565.60
|
-6
|
23
|
38
|
611.58
|
27
|
|
|
(17-Acetyloxy-5,11,15,15-tetramethyl-6-oxo-2,7-dioxapentacyclo[8.8.0.01,3.04,8.011,16]octadec-4-en-14-yl) acetate
|
432.50
|
2.5
|
0
|
7
|
91.43
|
4
|
|
|
[(1S,3R,8R,10S,11R,14S,16S,17R)-17-acetyloxy-5,11,15,15-tetramethyl-6-oxo-2,7-dioxapentacyclo[8.8.0.01,3.04,8.011,16]octadec-4-en-14-yl] acetate
|
432.50
|
2.5
|
0
|
7
|
91.43
|
4
|
|
|
(3R,4aS,5R)-4a,5-dimethyl-7-methylidene-3-prop-1-en-2-yl-1,2,3,4,5,6-hexahydronaphthalene
|
216.36
|
5.1
|
0
|
0
|
0
|
1
|
|
|
(2R,4R,5S,7S,9R,12R,13S,14S)-7,12-dimethyl-3,6,15-trioxapentacyclo[12.2.1.02,4.05,7.09,13]heptadec-1(17)-ene-11,16-dione
|
290.31
|
0.4
|
0
|
5
|
68.43
|
0
|
|
|
[(2R)-1-hexadecanoyloxy-3-octadeca-9,12-dienoyloxypropan-2-yl] octadecanoate
|
859.40
|
22.5
|
0
|
6
|
78.9
|
52
|
|
|
4-[(3R,5S)-7-(4-hydroxy-3-methoxyphenyl)-3,5-bis(prop-1-en-2-yloxy)heptyl]-2-methoxyphenol
|
456.60
|
6.5
|
2
|
6
|
77.38
|
14
|
|
|
[(2R,3S,4S,5R)-6-[2-[(1aR,2R,4aR,7R,8aR)-2,7-dihydroxy-4a-methyl-8-methylidene-1a,3,4,5,6,7-hexahydronaphtho[1,8a-b]oxiren-2-yl]propan-2-yloxy]-2-methyl-5-[(Z)-2-methylbut-2-enoyl]oxy-4-(2-methylpropanoyloxy)oxan-3-yl] (Z)-2-methylbut-2-enoate
|
648.80
|
4
|
2
|
11
|
150.35
|
12
|
|
|
(3S,4S)-5,6,7-trihydroxy-4-methyl-1-oxo-3,4-dihydroisochromene-3-carboxylic acid
|
254.19
|
0.7
|
4
|
7
|
124.29
|
1
|
|
|
Gal6S(b)-O-coumaroyl(3-OH)
|
422.40
|
-1.6
|
6
|
12
|
208.66
|
7
|
|
|
4,5-diacetyloxy-6-[3-(2-methoxy-2-oxoethyl)-2,2,4-trimethyl-7-oxo-3H-oxepin-4-yl]-3a-methyl-7-methylidene-1a,2,3,4,5,6-hexahydroindeno[3,3a-b]oxirene-3-carboxylic acid
|
548.60
|
1.6
|
1
|
11
|
155.03
|
9
|
|
|
(2S,3R,4S,4aR,6aR,6bR,8aS,12aS,14aR,14bR)-8a-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6S)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-5-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-6-methyloxan-2-yl]oxy-5-[3-(4-methoxyphenyl)prop-2-enoyloxy]-6-methyl-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxycarbonyl-2-hydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
|
1705.80
|
-3
|
20
|
39
|
603.49
|
25
|
|
|
11-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5R,6S)-4-[[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl]-3-hydroxy-6-methyl-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxyhexadecanoic acid
|
1179.30
|
-1.7
|
16
|
28
|
442.28
|
28
|
|
|
[(2R,3S,4R,5R,6S)-3-[(2R,3S,4S,5R,6S)-5-[(2R,3S,4R,5S)-3,5-dihydroxy-4-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-[[(2E,6S)-6-hydroxy-2-(hydroxymethyl)-6-methylocta-2,7-dienoyl]oxymethyl]oxan-2-yl] (4aS,5S,6aS,6aS,6bS,8aR,10S,12aS,14bS)-10-[(2S,3S,4R,5R,6S)-6-[[(2R,3S,4R,5S)-4,5-dihydroxy-3-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1653.80
|
-3.9
|
20
|
37
|
577.19
|
25
|
|
|
[(1S,4R,7S,8R,10S,11S)-10-methoxy-2-oxo-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-oxatricyclo[5.3.1.04,11]undec-5-en-6-yl]methyl methylsulfanylformate
|
476.50
|
-1.3
|
4
|
12
|
186.51
|
8
|
|
|
(2S)-2-methyl-4-[12-[(2S,5R)-5-[(1R,6R,7S)-1,6,7-trihydroxypentadecyl]oxolan-2-yl]dodecyl]-2H-furan-5-one
|
594.90
|
10.5
|
3
|
6
|
96.22
|
27
|
|
|
[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 3-methylbut-2-enoate
|
236.35
|
4.7
|
0
|
2
|
26.3
|
3
|
|
|
(3S)-8-hydroxy-6-methoxy-3-[2-(4-methoxyphenyl)ethyl]-3,4-dihydroisochromen-1-one
|
328.40
|
4.3
|
1
|
5
|
64.99
|
5
|
|
|
[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R,5R,6S)-5-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-methyl-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4S,5S,6R)-6-[[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1603.70
|
-5.8
|
21
|
38
|
589.58
|
19
|
|
|
[(2S,3R,4R,5S,6S)-3-[(2R,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-methyl-3-[(2S,3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,5R,6aS,6aS,6bR,8aS,10R,12aR,14bS)-10-[(2S,3R,4S,5S,6S)-6-[[(2S,3R,4S,5R)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1603.70
|
-5.8
|
21
|
38
|
589.58
|
19
|
|
|
(3S,3'R,4'R,9S,9aS)-3-[(2S,4S)-2,4-dimethyl-5-oxooxolan-2-yl]-4'-hydroxy-3'-methylspiro[1,2,3,5,6,7,8,9a-octahydropyrrolo[1,2-a]azepine-9,5'-oxolane]-2'-one
|
351.40
|
1.9
|
1
|
6
|
76.07
|
1
|
|
|
4-(4-Hydroxybut-1-enyl)-2-methoxyphenol
|
194.23
|
1.8
|
2
|
3
|
49.69
|
4
|
|
|
(3R,4R,5S)-5-[(1S,2S)-2-hydroxy-2-methyl-5-oxocyclopent-3-en-1-yl]-3-methyl-4-(3-oxobutyl)oxolan-2-one
|
280.32
|
0.2
|
1
|
5
|
80.67
|
4
|
|
|
(3R,4R,5S)-5-[(1S,2R)-2-hydroxy-2-methyl-5-oxocyclopent-3-en-1-yl]-3-methyl-4-(3-oxobutyl)oxolan-2-one
|
280.32
|
0.2
|
1
|
5
|
80.67
|
4
|
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