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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(3S,5R,6S,8S,9R,10R,12R,13R,14R,17S)-5,6,8,14,17-pentahydroxy-17-[(1S)-1-hydroxyethyl]-3-[(2R,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5R,6R)-5-[(2S,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-2,3,4,6,7,9,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthren-12-yl] (2E,4E)-5-phenylpenta-2,4-dienoate
|
991.20
|
2.1
|
8
|
18
|
261.98
|
14
|
|
|
2-(4-hydroxy-3-methoxyphenyl)-3,5-dimethoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
506.50
|
0.8
|
5
|
12
|
177.51
|
7
|
|
|
[(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] (2E,4Z,7Z)-deca-2,4,7-trienoate
|
490.50
|
-0.8
|
7
|
12
|
195.6
|
11
|
|
|
(3S,3aR,6S,6aS)-6-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enyl]-3,6,6a-trihydroxy-3,3a-dihydro-2H-furo[3,2-b]furan-5-one
|
324.28
|
-0.6
|
5
|
8
|
136.68
|
3
|
|
|
(3R,5R)-10-(hydroxymethyl)-6-methyl-3-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]spiro[4.5]deca-6,9-dien-8-one
|
412.50
|
-0.9
|
5
|
8
|
136.68
|
5
|
|
|
(3R,5R)-3-[2-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxypropan-2-yl]-10-(hydroxymethyl)-6-methylspiro[4.5]deca-6,9-dien-8-one
|
544.60
|
-2.7
|
7
|
12
|
195.6
|
8
|
|
|
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R)-4-[(1S,2S,4S,6R,7S,8R,9S,12S,13R,16S)-6-hydroxy-7,9,13-trimethyl-16-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-6-yl]-2-methylbutoxy]oxane-3,4,5-triol
|
756.90
|
1.5
|
9
|
14
|
228.22
|
10
|
|
|
(3R)-3-[2-[(3aR,7aS)-3a-ethyl-2,3,4,5,6,7a-hexahydrofuro[2,3-b]pyridin-7-yl]ethyl]-3-hydroxy-1H-indol-2-one
|
330.40
|
2.1
|
2
|
4
|
61.8
|
4
|
|
|
(1R,10R,12R,19R)-12-ethyl-10-methoxy-9,16-diazapentacyclo[10.6.1.01,9.03,8.016,19]nonadeca-3,5,7-trien-2-one
|
326.40
|
3.4
|
0
|
4
|
32.78
|
2
|
|
|
(1R,10S,12R,19R)-12-ethyl-10-methoxy-9,16-diazapentacyclo[10.6.1.01,9.03,8.016,19]nonadeca-3,5,7-trien-2-one
|
326.40
|
3.4
|
0
|
4
|
32.78
|
2
|
|
|
(1R,10R,12R,19R)-10-ethoxy-12-ethyl-9,16-diazapentacyclo[10.6.1.01,9.03,8.016,19]nonadeca-3,5,7-trien-2-one
|
340.50
|
3.7
|
0
|
4
|
32.78
|
3
|
|
|
(1R,12R,19R)-12-ethyl-9,16-diazapentacyclo[10.6.1.01,9.03,8.016,19]nonadeca-3,5,7-triene-2,10-dione
|
310.40
|
2.2
|
0
|
3
|
40.62
|
1
|
|
|
(1R,12R,19R)-12-ethyl-9,16-diazapentacyclo[10.6.1.01,9.03,8.016,19]nonadeca-3,5,7,10-tetraen-2-one
|
294.40
|
3.4
|
0
|
3
|
23.55
|
1
|
|
|
(1R,10S,11S,12S,19R)-12-ethyl-11-hydroxy-10-methoxy-9,16-diazapentacyclo[10.6.1.01,9.03,8.016,19]nonadeca-3,5,7-trien-2-one
|
342.40
|
2.4
|
1
|
5
|
53.01
|
2
|
|
|
(1R,10S,11S,12S,19R)-12-ethyl-10,11-dihydroxy-9,16-diazapentacyclo[10.6.1.01,9.03,8.016,19]nonadeca-3,5,7-trien-2-one
|
328.40
|
1.8
|
2
|
5
|
64.01
|
1
|
|
|
(1R,16S,21S)-16-methoxy-3,13-diazapentacyclo[11.7.1.02,10.04,9.017,21]henicosa-2(10),4,6,8,17-pentaene-1-carboxylic acid
|
352.40
|
-0.4
|
2
|
4
|
65.56
|
2
|
|
|
7-Hydroxy-9,10-dihydrophenanthrene-1,4-dione
|
226.23
|
1.6
|
1
|
3
|
54.37
|
0
|
|
|
(3S)-4-hydroxy-2'-methoxyspiro[1,2-dihydroindene-3,6'-cyclohex-2-ene]-1',4'-dione
|
258.27
|
1.4
|
1
|
4
|
63.6
|
1
|
|
|
(3R)-4-hydroxy-2'-methoxyspiro[1,2-dihydroindene-3,6'-cyclohex-2-ene]-1',4'-dione
|
258.27
|
1.4
|
1
|
4
|
63.6
|
1
|
|
|
(4aR,10aR)-4a,5-dihydroxy-4-methoxy-1,9,10,10a-tetrahydrophenanthren-2-one
|
260.28
|
0.9
|
2
|
4
|
66.76
|
1
|
|
|
(4aR,10aS)-4a,5-dihydroxy-4-methoxy-10,10a-dihydro-1H-phenanthrene-2,9-dione
|
274.27
|
0
|
2
|
5
|
83.83
|
1
|
|
|
(2R,4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-4a-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-6-(acetyloxymethyl)-3,4-dihydroxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxycarbonyl-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylic acid
|
1277.40
|
-1.8
|
14
|
28
|
435.96
|
16
|
|
|
(2R,4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-4a-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-6-(acetyloxymethyl)-3,4-dihydroxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxycarbonyl-2,6a,6b,9,9,12a-hexamethyl-10-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylic acid
|
1131.30
|
-0.7
|
12
|
24
|
377.04
|
14
|
|
|
[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-6-(acetyloxymethyl)-3,4-dihydroxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (2R,4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-(hydroxymethyl)-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1263.40
|
-1.7
|
14
|
27
|
418.89
|
16
|
|
|
[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-6-(acetyloxymethyl)-3,4-dihydroxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (2R,4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-formyl-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1261.40
|
-1.9
|
13
|
27
|
415.73
|
16
|
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