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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2S,3R,4S,5S,6R)-2-[(2R,3R,4R)-4-hydroxy-4-(hydroxymethyl)-2-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(2-phenylethoxy)oxan-2-yl]methoxy]oxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
578.60
|
-4
|
9
|
15
|
237.45
|
11
|
|
|
[(2R,3R,4R,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-5-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethoxy]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
|
770.70
|
-1.4
|
10
|
19
|
293.21
|
15
|
|
|
[(2R,3R,4R,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-5-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethoxy]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
784.80
|
-1.1
|
9
|
19
|
282.21
|
16
|
|
|
[(2R,3R,4R,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-5-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethoxy]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
784.80
|
-1.1
|
9
|
19
|
282.21
|
16
|
|
|
[(1S,14R,15Z)-15-ethylidene-7-methoxy-3-methyl-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraen-13-yl]methanol
|
338.40
|
2
|
1
|
3
|
37.63
|
2
|
|
|
(2R,3S,4S,5R,6S)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(6E)-3,7-dimethyloctadeca-1,6-dien-3-yl]oxyoxane-3,4,5-triol
|
588.80
|
4.7
|
6
|
10
|
158.3
|
20
|
|
|
(2,3-Diacetyloxy-4-propan-2-ylphenyl)methyl acetate
|
308.33
|
2.2
|
0
|
6
|
78.9
|
8
|
|
|
(1R,3S,4S)-1',4,7,7-tetramethylspiro[2-oxabicyclo[2.2.1]heptane-3,4'-cyclohexene]
|
220.35
|
3.6
|
0
|
1
|
9.23
|
0
|
|
|
(4aR,10aS,11S,11aR,11bR)-11-hydroxy-4,4,8,11b-tetramethyl-2,3,4a,5,6,10a,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-9-one
|
316.40
|
3.8
|
1
|
3
|
46.53
|
0
|
|
|
1-Methyl 20-[(2E,6E,10E)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraen-1-yl] (2E,4Z,6E,8E,10E,12E,14E,16E,18E)-4,8,13,17-tetramethyl-2,4,6,8,10,12,14,16,18-eicosanonaenedioate
|
667.00
|
14.9
|
0
|
4
|
52.6
|
23
|
|
|
[(3S,8R,9S,10R,11S,12S,13S,14S,17S)-12-acetyloxy-3,14-dihydroxy-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-11-yl] acetate
|
450.60
|
1.9
|
3
|
7
|
113.29
|
5
|
|
|
(3S,8S,9S,10R,11S,12S,13S,14R,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,8,11,12,14-pentol
|
382.50
|
-0.3
|
6
|
6
|
121.38
|
1
|
|
|
[(3S,5R,8R,9R,10R,13R,14R,17S)-17-[(E,2R,5S)-6-hydroxy-2,5-dimethoxy-6-methylhept-3-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
|
546.80
|
7.4
|
1
|
5
|
64.99
|
8
|
|
|
[(3S,5R,8R,9R,10R,13R,14R,17S)-17-[(E,2S,5S)-6-hydroxy-2,5-dimethoxy-6-methylhept-3-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
|
546.80
|
7.4
|
1
|
5
|
64.99
|
8
|
|
|
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[2-(5-hydroxy-7,8-dimethoxy-4-oxochromen-2-yl)phenoxy]-6-(hydroxymethyl)oxan-3-yl] (E)-3-phenylprop-2-enoate
|
606.60
|
3.8
|
4
|
12
|
174.35
|
10
|
|
|
5-hydroxy-7,8-dimethoxy-2-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
|
476.40
|
1.2
|
5
|
11
|
168.28
|
6
|
|
|
4,5-dimethoxy-7-[(E)-prop-1-enyl]-1,3-benzodioxole
|
222.24
|
2.7
|
0
|
4
|
36.92
|
3
|
|
|
N-methyl-N-[(1R,3R,7S,8R)-2-oxa-6-azatricyclo[4.2.1.03,7]nonan-8-yl]acetamide
|
196.25
|
-0.4
|
0
|
3
|
32.78
|
1
|
|
|
N-methyl-N-[(1R,3R,7S,8R)-2-oxa-6-azatricyclo[4.2.1.03,7]nonan-8-yl]formamide
|
182.22
|
-0.4
|
0
|
3
|
32.78
|
1
|
|
|
[(3R,4aS,5R,6S)-5-ethenyl-1-oxo-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
|
536.50
|
0.5
|
6
|
13
|
201.67
|
8
|
|
|
[(1S,4S,5S,5aS,9aS,9bR)-1,4-diacetyloxy-6,6,9a-trimethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][2]benzofuran-5-yl] acetate
|
394.50
|
3.1
|
0
|
7
|
88.13
|
6
|
|
|
methyl (2S,4aS,8R,10aR,10bS)-2-(furan-3-yl)-4a-hydroxy-10b-methyl-4-oxo-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,5,6,8,9,10,10a-octahydrobenzo[f]isochromene-7-carboxylate
|
538.50
|
-0.8
|
5
|
12
|
185.35
|
6
|
|
|
(3S,4aR,6aR,6aR,6bR,8aS,10R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicene-3,10-diol
|
442.70
|
7.8
|
2
|
2
|
40.46
|
0
|
|
|
(4S,5R,9S)-9-acetyl-4,6,6-trimethyl-1,8-dioxaspiro[4.5]decan-2-one
|
240.29
|
1.5
|
0
|
4
|
52.6
|
1
|
|
|
(1S,3R,5S,7R,9S,11R)-3,7,11-trimethyl-2,6,10,13-tetrazatricyclo[7.3.1.05,13]tridecane
|
224.35
|
1.2
|
3
|
4
|
39.33
|
0
|
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