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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1S,2R,3R,4S,5S,6S,8R,9S,10S,13R,16S,17R,18R)-11-ethyl-6,8-dimethoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,9,16,18-tetrol
|
423.50
|
-0.4
|
4
|
7
|
102.62
|
3
|
|
|
(Z)-5-[(1S,5S,6R)-2,6-dimethyl-6-bicyclo[3.1.1]hept-2-enyl]-2-methylpent-2-enoic acid
|
234.33
|
3.5
|
1
|
2
|
37.3
|
4
|
|
|
(3,4-Dihydroxyphenyl)[2,4,6-trihydroxy-3-[2,3,6-tris-O-(3,4,5-trihydroxybenzoyl)-I(2)-D-glucopyranosyl]phenyl]methanone
|
880.70
|
2.5
|
15
|
23
|
408.65
|
13
|
|
|
Melissoidesin E
|
436.50
|
1.6
|
3
|
7
|
113.29
|
4
|
|
|
(1S,2R,3R,4S,5S,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-13-(hydroxymethyl)-6,16,18-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,9-triol
|
453.60
|
-1.1
|
4
|
8
|
111.85
|
5
|
|
|
[(2R,3R,4S,5R,6S)-3-[(2R,3R,4R,5R,6S)-5-[(2S,3R,4R,5R,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,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,3R,4R,5R,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl] (2S,3R,6R)-6-[(3R,8S,9S,10S,13R,14S,17S)-10,13-dimethyl-3-[(2S,3R,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
|
|
|
(1R,3S,4aS,4bR,7S,10aS)-7-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-(hydroxymethyl)-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthren-3-ol
|
378.50
|
3.5
|
2
|
4
|
58.92
|
2
|
|
|
[2-[(2S,4aR,4bS,6S,8R,8aS)-6-hydroxy-8-(hydroxymethyl)-2,4b,8-trimethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-yl]-2-hydroxyethyl] acetate
|
380.50
|
2.6
|
3
|
5
|
86.99
|
5
|
|
|
cyclo(Gly(1)-Pro(2)-Phe(3)-Val(4)-Phe(5)-)
|
547.60
|
2.8
|
4
|
5
|
136.71
|
5
|
|
|
(E)-3-[(2S,3R)-2-(3,4-dihydroxyphenyl)-7-hydroxy-3-(hydroxymethyl)-2,3-dihydro-1-benzofuran-6-yl]prop-2-enoic acid
|
344.30
|
1.5
|
5
|
7
|
127.45
|
4
|
|
|
(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoxy]oxane-3,4,5-triol
|
474.50
|
-1.8
|
7
|
12
|
187.76
|
9
|
|
|
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxane-3,4,5-triol
|
372.40
|
-1.3
|
5
|
9
|
138.07
|
7
|
|
|
(3S,4S,5S)-4-[(2R,3R)-2,3-dihydroxy-3-[(2S,3R,5S,9R,10R,13R,14S,17S)-2,3,5,14-tetrahydroxy-10,13-dimethyl-6-oxo-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]butyl]-3,5-dimethyloxolan-2-one
|
536.70
|
0.3
|
6
|
9
|
164.75
|
4
|
|
|
[(5R,6R,7S,8R,9R,10S,11S,12R,13S,17R)-12-acetyloxy-17-(2,5-dioxofuran-3-yl)-6-hydroxy-11-methoxy-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] acetate
|
570.60
|
2.4
|
1
|
10
|
142.5
|
6
|
|
|
methyl 2-[(1R,2R,6R,7R,8R,9R,10S,12S,14R,15R,16S,18S,19S,20R)-8-acetyloxy-15-(acetyloxymethyl)-6-(furan-3-yl)-9,18,19,20-tetrahydroxy-7,12,17-trimethyl-4-oxo-5,11,13,21-tetraoxaheptacyclo[10.8.1.114,17.01,10.02,7.010,15.014,19]docosan-16-yl]acetate
|
692.70
|
-2
|
4
|
16
|
226.95
|
9
|
|
|
methyl 2-[(1R,2R,6S,7R,8R,9S,10R,14R,15R,16R,17R,18R,20R)-8,18-diacetyloxy-15-(acetyloxymethyl)-6-(furan-3-yl)-9,19,20-trihydroxy-7,12,17-trimethyl-4-oxo-5,11,13,21-tetraoxaheptacyclo[10.8.1.114,17.01,10.02,7.010,15.014,19]docosan-16-yl]acetate
|
734.70
|
-1.4
|
3
|
17
|
233.02
|
11
|
|
|
methyl 2-[(1S,2S,3R,4S,5S,6R,11R,12S,13R,14R,15R,17R,18S)-3,12,14-triacetyloxy-1-(acetyloxymethyl)-6-(furan-3-yl)-2,4,11,13,17-pentahydroxy-5,15-dimethyl-8-oxo-7-oxapentacyclo[13.2.1.02,11.05,10.013,17]octadecan-18-yl]acetate
|
752.70
|
-2.4
|
5
|
18
|
272.09
|
13
|
|
|
[(1R,2S,7S,8R,9R,10R,11R,12R,17R,18S,19R,20R,22S)-9,10,22-triacetyloxy-12-(furan-3-yl)-8,17,19,20-tetrahydroxy-1,11-dimethyl-4,14-dioxo-5,13-dioxahexacyclo[17.2.1.02,7.07,20.08,17.011,16]docosan-18-yl] propanoate
|
734.70
|
-1.5
|
4
|
17
|
251.86
|
10
|
|
|
[(2S,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] (1R,4aS,5R,8aS)-5-[2-(furan-3-yl)-2-oxoethyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate
|
654.70
|
0.3
|
7
|
14
|
225.81
|
10
|
|
|
(e)-7-Hydroxy-3-(2',4'-dimethoxybenzylidene) chroman-4-one
|
312.30
|
2.9
|
1
|
5
|
64.99
|
3
|
|
|
(Z)-1,4-bis(4-hydroxyphenyl)-2,3-dimethylbut-2-ene-1,4-dione
|
296.30
|
3.2
|
2
|
4
|
74.6
|
4
|
|
|
[(2E)-6-hydroxy-2,6-dimethylocta-2,7-dienyl] 3-methylbutanoate
|
254.36
|
3.3
|
1
|
3
|
46.53
|
9
|
|
|
(4S,6R,9R,10R)-4,10-dibromo-1,5,5,9-tetramethylspiro[5.5]undec-1-en-9-ol
|
380.16
|
4.3
|
1
|
1
|
20.23
|
0
|
|
|
(1S,2R,6S,7S)-1,2,6-trimethyl-8-methylidenetricyclo[5.3.1.02,6]undecan-4-one
|
218.33
|
3.1
|
0
|
1
|
17.07
|
0
|
|
|
5,7-dihydroxy-2,2,6-trimethyl-3H-chromen-4-one
|
222.24
|
2.2
|
2
|
4
|
66.76
|
0
|
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