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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-[4-[(3S,3aR,6S,6aR)-6-[3,5-dimethoxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
742.70
|
-1.4
|
8
|
18
|
254.14
|
12
|
|
|
(4aS,6aR,6aS,6bR,8aS,9R,10S,12aR,14bS)-10-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
797.00
|
3.1
|
9
|
14
|
236.06
|
8
|
|
|
(2S)-2-phenyl-2-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetonitrile
|
295.29
|
-0.7
|
4
|
7
|
123.17
|
4
|
|
|
(1R,3R,6R,7S,8S,10R,11R,12R,13R,16S,17R)-8-Tert-butyl-6,12,17-trihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione
|
424.40
|
-0.4
|
3
|
10
|
148.82
|
1
|
|
|
(5R,9R,10R,13S,14S,17S)-17-[(2S)-4-[(2S)-3,3-dimethyloxiran-2-yl]-4-oxobutan-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
|
454.70
|
6.4
|
0
|
3
|
46.67
|
4
|
|
|
(1R,6R)-2,2,6-trimethyl-1-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-7-oxabicyclo[4.1.0]heptane
|
552.90
|
12.7
|
0
|
1
|
12.53
|
10
|
|
|
[(1S,12S,13R,14S,15E)-15-ethylidene-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraen-13-yl]methanol
|
294.40
|
2.1
|
2
|
2
|
39.26
|
1
|
|
|
(3S,9R,10S)-heptadec-1-en-4,6-diyne-3,9,10-triol
|
278.40
|
3.5
|
3
|
3
|
60.69
|
10
|
|
|
(10S)-10-methylheptadecanoic acid
|
284.50
|
7.2
|
1
|
2
|
37.3
|
15
|
|
|
s,s'-Ethylidene dithioacetate
|
178.30
|
1.6
|
0
|
4
|
84.74
|
4
|
|
|
(1aR,7S,7aR,7bR)-1,1,4,7-tetramethyl-1a,2,3,5,6,7,7a,7b-octahydrocyclopropa[e]azulene
|
204.35
|
4
|
0
|
0
|
0
|
0
|
|
|
(3S,4aR,6aR,6bS,8aR,14aR,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,13,14,14a-tetradecahydropicen-3-ol
|
426.70
|
8.9
|
1
|
1
|
20.23
|
0
|
|
|
(3aR,6E,9S,10E,11aR)-9-hydroxy-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
|
248.32
|
1
|
1
|
3
|
46.53
|
0
|
|
|
Angustin A
|
318.28
|
2.7
|
2
|
7
|
98.36
|
3
|
|
|
(1R,3S,6R,7S,8S,9R,10S,11S,13S,16S,17R)-8-tert-butyl-6,9,17-trihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione
|
424.40
|
-0.4
|
3
|
10
|
148.82
|
1
|
|
|
Angustin B
|
332.30
|
3
|
1
|
7
|
87.36
|
4
|
|
|
Ethyl 2-(9-hydroxy-10-oxophenanthren-9-yl)acetate
|
296.30
|
3
|
1
|
4
|
63.6
|
4
|
|
|
(E)-4-(4-Methylcyclohex-3-en-1-yl)pent-3-en-2-one
|
178.27
|
2.7
|
0
|
1
|
17.07
|
2
|
|
|
methyl (Z)-2-[(3S,6'S,7'R,8'aR)-6'-ethyl-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxyprop-2-enoate
|
384.50
|
2.3
|
1
|
5
|
67.87
|
5
|
|
|
(1S,2S,4R,7E,11R)-4,8-dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one
|
248.32
|
2.3
|
0
|
3
|
38.83
|
0
|
|
|
(4S,5R)-4-hydroxy-4-[(E,3R)-4-hydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]-3,3,5-trimethylcyclohexan-1-one
|
404.50
|
-1.8
|
6
|
9
|
156.91
|
6
|
|
|
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(1R)-4-[(3S)-3-hydroxybutyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol
|
536.60
|
-1.9
|
8
|
12
|
198.76
|
9
|
|
|
(1R,2R,7S,10R,13R,14R,16S,19R,20S)-19-[(2R)-2-hydroxy-5-oxo-2H-furan-4-yl]-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosane-5,12,17-trione
|
502.50
|
0.5
|
1
|
10
|
137.96
|
1
|
|
|
Borapetoside E
|
536.60
|
1.2
|
4
|
11
|
165.12
|
8
|
|
|
methyl (1R,9R,10R,12R,19S,20S)-20-methyl-8,16-diazahexacyclo[10.6.1.19,12.01,9.02,7.016,19]icosa-2,4,6,13-tetraene-10-carboxylate
|
336.40
|
2.9
|
1
|
4
|
41.57
|
2
|
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