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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,4aS,10bS)-3,8,10-trihydroxy-9-methoxy-6-oxo-4-(3,4,5-trihydroxybenzoyl)oxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-2-yl]methyl 3,4,5-trihydroxybenzoate
|
632.50
|
0.8
|
9
|
17
|
279.43
|
8
|
|
|
[(1S,2R,3R,4R,5S,6S,8R,9R,10R,13S,16S,17R,18R)-11-ethyl-5-hydroxy-6,8,16,18-tetramethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
|
585.70
|
2.2
|
1
|
9
|
95.92
|
10
|
|
|
[(1S,2R,3R,4R,5S,6S,8R,9R,10R,13S,16S,17R,18R)-8-ethoxy-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
|
599.80
|
2.6
|
1
|
9
|
95.92
|
11
|
|
|
7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxychromen-4-one
|
580.50
|
-1.3
|
9
|
15
|
249.2
|
7
|
|
|
[(10R,11R,12R,15R)-3,4,5,12,13,21,22,23,26,27,38,39-dodecahydroxy-8,18,30,35-tetraoxo-9,14,17,29,36-pentaoxaoctacyclo[29.8.0.02,7.010,15.019,24.025,34.028,33.032,37]nonatriaconta-1(39),2,4,6,19,21,23,25,27,31,33,37-dodecaen-11-yl] 3,4,5-trihydroxybenzoate
|
934.60
|
0.9
|
15
|
26
|
452
|
3
|
|
|
(1S,6S,8S)-1,5-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-4-en-3-one
|
218.33
|
3.4
|
0
|
1
|
17.07
|
1
|
|
|
Jatrophane 3
|
807.90
|
4.8
|
2
|
15
|
211.15
|
15
|
|
|
[(2R,3S,4S,5R,6S)-6-[[(1R,3R,6S,8S,9S)-9-(benzoyloxymethyl)-8-hydroxy-6-methyl-4-oxo-7-oxatricyclo[4.3.0.03,9]nonan-1-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl benzoate
|
584.60
|
0.2
|
4
|
12
|
178.28
|
10
|
|
|
Nudicaucin A
|
897.10
|
1.3
|
10
|
17
|
274.75
|
9
|
|
|
Nudicaucin B
|
913.10
|
2.6
|
10
|
17
|
274.75
|
9
|
|
|
Vaccaroside E
|
1423.50
|
-1.8
|
16
|
33
|
511.95
|
19
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-[(2S,3R,4S,5S,6R)-5-acetyloxy-4-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxycarbonyl-8-hydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
1425.50
|
-1.6
|
17
|
33
|
515.11
|
19
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-[(2S,3R,4S,5S,6R)-5-acetyloxy-4-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxycarbonyl-4-formyl-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
1407.50
|
-1.1
|
15
|
32
|
491.72
|
19
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-[(2S,3R,4S,5S,6R)-5-acetyloxy-4-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxycarbonyl-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
1409.50
|
-1
|
16
|
32
|
494.88
|
19
|
|
|
[(2R,3R,4S,5R,6R)-4-[(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]oxy-3,5-dihydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]oxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
830.80
|
-1.9
|
11
|
21
|
322.67
|
17
|
|
|
[(2R,3R,4R,5R,6R)-4-[(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]oxy-5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-2-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
830.80
|
-1.9
|
11
|
21
|
322.67
|
17
|
|
|
(4R,4'R)-4'-ethenyl-1,4',10'-trimethylspiro[3,6-dioxabicyclo[3.1.0]hexane-4,2'-3H-pyrano[3,2-c]chromene]-5'-one
|
340.40
|
3.1
|
0
|
5
|
61.2
|
1
|
|
|
(2S,3'R,4R)-4-ethenyl-3'-hydroxy-4,4',4',10-tetramethylspiro[3H-pyrano[3,2-c]chromene-2,2'-oxetane]-5-one
|
342.40
|
3.1
|
1
|
5
|
68.9
|
1
|
|
|
(Z)-5-[(5R,6S,7S,8R,9R,10R,13S,17S)-6-acetyloxy-7-hydroxy-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]hex-4-enoic acid
|
498.60
|
5.1
|
2
|
6
|
100.9
|
6
|
|
|
[(5R,7R,8R,9R,10R,13S,17S)-17-[(2S)-5-hydroxyhexan-2-yl]-4,4,8,10,13-pentamethyl-3,16-dioxo-6,7,9,11,12,17-hexahydro-5H-cyclopenta[a]phenanthren-7-yl] acetate
|
484.70
|
5.4
|
1
|
5
|
80.67
|
6
|
|
|
2',3-Dihydroxy-5-methoxy-2,5',6-tri(4-hydroxybenzyl)-bibenzyl
|
562.60
|
8.1
|
5
|
6
|
110.38
|
10
|
|
|
(1S,3R,8R,11S,12S,15R,16R)-15-(5-hydroxy-6-methylhept-1-en-2-yl)-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one
|
440.70
|
8.4
|
1
|
2
|
37.3
|
5
|
|
|
4-[(4-Hydroxyphenyl)methyl]-3-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenol
|
364.40
|
5.3
|
2
|
4
|
58.92
|
7
|
|
|
Arundinin
|
350.40
|
5
|
3
|
4
|
69.92
|
6
|
|
|
[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)propanoate
|
520.50
|
-2.2
|
8
|
14
|
225.06
|
11
|
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