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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1R,2S,3S,5R,7S,10R,11S,12S,13S,14R,16S,17S,18S,19R)-4-ethyl-12,14,16-trimethoxy-10-(methoxymethyl)-6-oxa-4-azaheptacyclo[15.2.1.02,7.02,11.03,13.05,10.014,19]icosane-13,18-diol
|
465.60
|
-0.1
|
2
|
8
|
89.85
|
6
|
|
|
(4bS,8S,8aS)-8-(hydroxymethyl)-4b,8-dimethyl-2-propan-2-yl-5,6,7,8a-tetrahydrophenanthren-3-ol
|
300.40
|
5.1
|
2
|
2
|
40.46
|
2
|
|
|
[(1R,3S,4R,21R,22S)-27-[5-[[(10R,11S,13R,14R,15S)-3,4,5,14,20,21,22-heptahydroxy-13-(hydroxymethyl)-8,17-dioxo-9,12,16-trioxatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,18,20-hexaen-11-yl]oxycarbonyl]-2,3-dihydroxyphenoxy]-9,10,11,14,15,16,26,28,29,32,33,34-dodecahydroxy-6,19,24,37-tetraoxo-2,5,20,23,38-pentaoxaheptacyclo[19.18.0.04,22.07,12.013,18.025,30.031,36]nonatriaconta-7,9,11,13,15,17,25(30),26,28,31,33,35-dodecaen-3-yl] 3,4,5-trihydroxybenzoate
|
1569.10
|
3.2
|
25
|
44
|
743.84
|
9
|
|
|
[(3S,5R,8R,9R,10S,13R,14S,16S,17R)-3-[(2R,3R,4S,5R,6R)-3-acetyloxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
|
796.90
|
0.4
|
5
|
16
|
226.2
|
11
|
|
|
4-Hydroxy-25-methoxy-2-oxa-11,15,20-triazatricyclo[22.2.2.13,7]nonacosa-1(26),3,5,7(29),8,22,24,27-octaene-10,21-dione
|
465.50
|
3
|
4
|
6
|
108.92
|
1
|
|
|
7-Methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,9,11,14,16,18-octaen-13-one
|
289.30
|
3.8
|
0
|
4
|
48.42
|
0
|
|
|
[(2S)-1-hydroxy-3-octadeca-9,12,15-trienoyloxypropan-2-yl] docos-13-enoate
|
673.10
|
15.1
|
1
|
5
|
72.83
|
38
|
|
|
3-[(3S,5R,8R,9S,10S,13S,14R,15S)-15-hydroxy-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
|
534.60
|
1.7
|
5
|
9
|
145.91
|
4
|
|
|
2-[4-[(2R,3S,4S,5R,6S)-5-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-5,7-dihydroxychromen-4-one
|
564.50
|
-1.6
|
8
|
14
|
228.97
|
7
|
|
|
3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxy-7-methoxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
|
464.40
|
1
|
7
|
12
|
199.51
|
5
|
|
|
(1R,5S,6S,9S,12S,13R)-6,7,13-trimethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icosa-2,14,17-triene-4,8,16-trione
|
351.40
|
1.6
|
0
|
3
|
54.45
|
0
|
|
|
(9S)-5,9-dihydroxy-2-methyl-9-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-8H-pyrano[2,3-g][1]benzoxepin-4-one
|
614.50
|
-2.8
|
9
|
16
|
258.43
|
7
|
|
|
[(1S,3R,13R,14S,17S,18R,19R,20S,21S,22R,23R,24R,25S)-19,21,24-triacetyloxy-20-(acetyloxymethyl)-18,25-dihydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-22-yl] 2-methylpropanoate
|
791.80
|
1
|
2
|
18
|
246.68
|
12
|
|
|
(2S,3R,4R,5S,7R,8R)-4,8-diamino-N-[(2S)-1-amino-3-(carbamoylamino)-1-oxopropan-2-yl]-2,3,5,7,9-pentahydroxynonanamide
|
396.40
|
-7.3
|
11
|
10
|
280.5
|
12
|
|
|
[(3aS,5R,6R,6aR,9S,9aS,9bS)-6,6a,9-trihydroxy-6,9-dimethyl-3-methylidene-2-oxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-5-yl] (Z)-2-methylbut-2-enoate
|
378.40
|
0.7
|
3
|
7
|
113.29
|
3
|
|
|
(1R,2R,4S,9S,10S,13S,15S,16R)-2,15,16-trihydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-6-one
|
334.40
|
1.3
|
3
|
4
|
77.76
|
0
|
|
|
methyl (1R,2S,3R,6R,8R,11S,12S,13S,14R,15R,16S,17S)-12,15,16-trihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4-oxo-11-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate
|
684.70
|
-1.4
|
7
|
16
|
248.2
|
8
|
|
|
6-[2-Carboxy-6-[6-carboxy-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-3-yl]oxy-3-hydroxy-5-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]oxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
|
974.80
|
0.7
|
12
|
26
|
415.09
|
15
|
|
|
6-Hydroxy-7-methoxy-3-phenylchromen-2-one
|
268.26
|
3.2
|
1
|
4
|
59.67
|
2
|
|
|
(9S)-6,8-dihydroxy-2,2,4,4-tetramethyl-7-(2-methylpropanoyl)-9-propan-2-yl-9H-xanthene-1,3-dione
|
414.50
|
5
|
2
|
6
|
100.9
|
3
|
|
|
[(4aR,5S,6R,8aR)-5,6,8a-trimethyl-5-[2-(5-oxo-2H-furan-4-yl)ethyl]-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl acetate
|
360.50
|
4.9
|
0
|
4
|
52.6
|
6
|
|
|
(12R)-4,6-dimethoxy-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),8,10,15,18-octaene-5,12-diol
|
354.40
|
4.2
|
2
|
5
|
68.15
|
2
|
|
|
(2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-[[(1S,2S,4S,5R,8R,9R,10S,13S,14R,17S,18R)-2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
781.00
|
2.5
|
8
|
13
|
207.99
|
6
|
|
|
(2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-[[(1S,2R,4S,5R,8R,9R,10S,13S,14R,17S,18R)-2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
781.00
|
2.5
|
8
|
13
|
207.99
|
6
|
|
|
(1R,15S,16S,17S)-16-ethenyl-4-hydroxy-5-methoxy-15-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-14-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6,12-tetraen-11-one
|
667.70
|
-2.3
|
8
|
15
|
237.53
|
8
|
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