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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2R,3R,4S,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
|
639.60
|
|
9
|
15
|
248.75
|
8
|
|
|
(2S,3R,4S,5S,6R)-2-methyl-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol
|
801.70
|
|
12
|
20
|
327.9
|
11
|
|
|
(2S,3R,4S,5S,6S)-2-[7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
655.60
|
|
10
|
16
|
268.98
|
9
|
|
|
1,3,6-trihydroxy-2-[(2S)-2-hydroxy-3-methylbut-3-enyl]-7-methoxy-8-(3-methylbut-2-enyl)xanthen-9-one
|
426.50
|
5.2
|
4
|
7
|
120.36
|
6
|
|
|
(3R)-5-[(1S,4aR,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-1-en-3-ol
|
290.50
|
5.7
|
1
|
1
|
20.23
|
4
|
|
|
(8R)-8-methoxy-2,15-dioxapentacyclo[22.2.2.13,7.110,14.016,21]triaconta-1(26),3(30),4,6,10(29),11,13,16(21),17,19,24,27-dodecaene-4,5,17-triol
|
470.50
|
5.9
|
3
|
6
|
88.38
|
1
|
|
|
[(3S,3aR,4S,9S,9aS,9bS)-9-hydroxy-3,6,9-trimethyl-2-oxo-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] acetate
|
306.40
|
1
|
1
|
5
|
72.83
|
2
|
|
|
3-[(2S,3R,4S,5R,6S)-4,5-dihydroxy-3-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
|
740.70
|
-2
|
11
|
19
|
308.12
|
8
|
|
|
2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
|
478.40
|
0.8
|
7
|
12
|
199.51
|
4
|
|
|
(2S,3R,4S,5R,6S)-2-[[(6aR,11aR)-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
432.40
|
0.8
|
4
|
9
|
127.07
|
4
|
|
|
[(1S,4aS,5R,7aS)-5-hydroxy-1-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl benzoate
|
450.40
|
-0.8
|
5
|
10
|
155.14
|
7
|
|
|
(5R,9R,10R,13S,14S,17S)-17-[(2R,3S,5S)-5-[(2S)-3,3-dimethyloxiran-2-yl]-2-hydroxyoxolan-3-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
|
470.70
|
5.7
|
1
|
4
|
59.06
|
2
|
|
|
(3I(2),22I+/-,25S)-26-(I(2)-D-Glucopyranosyloxy)-22-methoxyfurost-5-en-3-yl O-6-deoxy-I+/--L-mannopyranosyl-(1a2)-O-[6-deoxy-I+/--L-mannopyranosyl-(1a4)]-I(2)-D-glucopyranoside
|
1063.20
|
-0.7
|
12
|
22
|
335.06
|
15
|
|
|
6-[(3aR,5S,6S,7R,7aS)-5-[2,6-dimethyl-5-[[(2R,3S,7S,9R,10S)-4-methyl-12-oxo-11,16,18-trioxa-4-azapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(20),13,15(19)-trien-9-yl]oxycarbonyl]pyridine-3-carbonyl]oxy-6-hydroxy-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-7-yl]-1,3-benzodioxole-5-carboxylic acid
|
811.80
|
2.2
|
2
|
16
|
192.72
|
8
|
|
|
(1R,9R,11S,15R,16S)-9-methyl-14-methylidene-2,6,12-trioxatetracyclo[7.6.1.04,16.011,15]hexadeca-4,7-diene-3,13-dione
|
274.27
|
1.5
|
0
|
5
|
61.83
|
0
|
|
|
(2Z)-2-[(1S,3S,12bR)-3-ethyl-1-formyl-8-methoxy-3,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-ylidene]-3-oxopropanoic acid
|
396.40
|
-0.3
|
2
|
6
|
99.7
|
5
|
|
|
methyl (1R,15R,16S,20S)-8-methoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate
|
382.50
|
2.7
|
1
|
5
|
63.79
|
3
|
|
|
(1S,2S,3S)-2-[(Z)-1,3-dimethoxy-3-oxoprop-1-en-2-yl]-3-ethyl-8-methoxy-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-5-ium-1-sulfonate
|
476.50
|
1.9
|
1
|
7
|
129.14
|
6
|
|
|
(3S,7R,8S,9R,10R,13R,14S,17R)-3,7-dihydroxy-17-[(2R,4R)-4-hydroxy-6-methylhept-5-en-2-yl]-4,4,13,14-tetramethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-9-carbaldehyde
|
472.70
|
5.3
|
3
|
4
|
77.76
|
5
|
|
|
(2S,3S,4S,5S,6R)-2-[[(1S,4aR,5R,7aR)-4a,5-dihydroxy-7-(hydroxymethyl)-5,7a-dihydro-1H-cyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
362.33
|
-4.1
|
7
|
10
|
169.3
|
4
|
|
|
2-(2,4-dihydroxyphenyl)-8-[(1R,5R,6S)-6-(2,4-dihydroxyphenyl)-5-(5-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonyl)-3-methylcyclohex-2-en-1-yl]-5,7-dihydroxy-3-(3-methylbut-2-enyl)chromen-4-one
|
760.80
|
8.6
|
7
|
11
|
198.12
|
7
|
|
|
1,8-Dihydroxy-2-methoxy-7-methylanthracene-9,10-dione
|
284.26
|
3
|
2
|
5
|
83.83
|
1
|
|
|
(3R,3aS,4S,6aS)-3,4,5-tris(hydroxymethyl)-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one
|
214.21
|
-1.5
|
3
|
5
|
86.99
|
3
|
|
|
[(1R,2S,6S)-2-[2,6-dihydroxy-4-(6-hydroxy-1-benzofuran-2-yl)phenyl]-6-(4-hydroxyphenyl)-4-methylcyclohex-3-en-1-yl]-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]methanone
|
632.70
|
8.3
|
6
|
8
|
151.59
|
7
|
|
|
(1R,9S,13R,21R)-17-(6-hydroxy-1-benzofuran-2-yl)-1-(5-hydroxy-2,2-dimethylchromen-8-yl)-11-methyl-2,20-dioxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,11,14,16,18-heptaene-5,15-diol
|
628.70
|
7.3
|
4
|
8
|
121.75
|
2
|
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