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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,5S,6R)-2-[[(3S,5R,6R,9S,10R,13R,14R,17R)-17-[(E,2R,5S)-5-ethyl-6-hydroxy-6-methylhept-3-en-2-yl]-5,6-dihydroxy-10,13-dimethyl-1,2,3,4,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
622.80
|
3
|
7
|
9
|
160.07
|
8
|
|
|
Xylogranatin A
|
642.70
|
2.2
|
2
|
12
|
168.03
|
9
|
|
|
[(1R,3R,4R,6R)-6-[(R)-acetyloxy-[(1R,5R,8aR)-1-(furan-3-yl)-5-hydroxy-8a-methyl-3,6-dioxo-7,8-dihydro-1H-isochromen-5-yl]methyl]-3-(2-methoxy-2-oxoethyl)-2,2,4-trimethyl-5-oxocyclohexyl] (E)-2-methylbut-2-enoate
|
642.70
|
2.6
|
1
|
12
|
172.71
|
11
|
|
|
methyl 2-[(1R,6R)-4-[(R)-acetyloxy-[(1R,5R,8aR)-1-(furan-3-yl)-5-hydroxy-8a-methyl-3,6-dioxo-7,8-dihydro-1H-isochromen-5-yl]methyl]-2,2,6-trimethyl-5-oxocyclohex-3-en-1-yl]acetate
|
542.60
|
1.8
|
1
|
10
|
146.41
|
8
|
|
|
methyl 2-[(1R,6R)-4-[(R)-acetyloxy-[(1R,6S,8aR)-1-(furan-3-yl)-6-hydroxy-8a-methyl-3,5-dioxo-7,8-dihydro-1H-isochromen-6-yl]methyl]-2,2,6-trimethyl-5-oxocyclohex-3-en-1-yl]acetate
|
542.60
|
2.4
|
1
|
10
|
146.41
|
8
|
|
|
1-[3-[[2,6-Dihydroxy-4-methoxy-3-methyl-5-(2-methylpropanoyl)phenyl]methyl]-2,4,6-trihydroxy-5-[[2-hydroxy-4,6-dimethoxy-3-methyl-5-(2-methylpropanoyl)phenyl]methyl]phenyl]-2-methylpropan-1-one
|
682.80
|
7.6
|
6
|
12
|
200.28
|
13
|
|
|
(2S,3R,4S)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-3,4-dihydro-2H-pyran-2,6-dicarboxylic acid
|
528.40
|
2.3
|
6
|
13
|
217.35
|
10
|
|
|
Ternstroside A
|
466.40
|
0.7
|
7
|
11
|
186.37
|
9
|
|
|
Ternstroside B
|
450.40
|
1
|
6
|
10
|
166.14
|
9
|
|
|
Ternstroside C
|
466.40
|
0.7
|
7
|
11
|
186.37
|
9
|
|
|
Ternstroside D
|
466.40
|
0.1
|
7
|
11
|
186.37
|
9
|
|
|
Ternstroside E
|
450.40
|
1
|
6
|
10
|
166.14
|
9
|
|
|
Ternstroside F
|
482.40
|
0.3
|
8
|
12
|
206.6
|
9
|
|
|
3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
|
742.60
|
-2.6
|
12
|
20
|
328.35
|
9
|
|
|
Integerrimide A
|
781.00
|
3.7
|
8
|
8
|
230.93
|
9
|
|
|
2-methoxy-1-(3-methylbut-2-enoxy)-4-[(E)-prop-1-enyl]benzene
|
232.32
|
4.4
|
0
|
2
|
18.46
|
5
|
|
|
dimethyl (1S,4E,6Z,10Z,14S)-14-methyl-7-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-triene-4,10-dicarboxylate
|
376.50
|
4
|
0
|
5
|
65.13
|
5
|
|
|
Sarcrassin E
|
360.40
|
3.5
|
0
|
5
|
69.67
|
3
|
|
|
[(1S,3R,4R,5R,6S,10S,12S,16R,18S,21R)-4,6,12,17,17-pentamethyl-8-(2-methylpropanoyl)-18-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosa-7,13-dien-3-yl] acetate
|
642.80
|
4.6
|
3
|
9
|
131.75
|
6
|
|
|
[(1R,3R,4R,5R,6S,10S,12S,13S,16R,18S,21R)-4,6,12,17,17-pentamethyl-8-(2-methylpropanoyl)-18-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-7-en-3-yl] acetate
|
644.80
|
5.4
|
3
|
9
|
131.75
|
6
|
|
|
[(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-2-(acetyloxymethyl)-4-hydroxy-5-(hydroxymethyl)-3-(2-methylpropanoyloxy)oxolan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-(2-methylpropanoyloxy)oxan-3-yl] decanoate
|
678.80
|
4
|
4
|
15
|
213.81
|
23
|
|
|
[(2R,3R,4S,5R,6R)-5-hydroxy-2-[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-3-(2-methylpropanoyloxy)oxolan-2-yl]oxy-6-(hydroxymethyl)-4-(2-methylpropanoyloxy)oxan-3-yl] decanoate
|
636.70
|
3.6
|
5
|
14
|
207.74
|
21
|
|
|
15-Amido-3-demethoxy-2alpha,3alpha-methylenedioxyerythroculine
|
342.40
|
0.5
|
1
|
5
|
74.02
|
2
|
|
|
4,5-dibromo-N-[[(1S,2S,3S,4R,5S,6R,10R,12S)-8,14-diamino-2-[[(1S,2S,3S,4R,5S,6R,10R,12S)-8,14-diamino-3,4-bis[[(4,5-dibromo-1H-pyrrole-2-carbonyl)amino]methyl]-6-hydroxy-11-oxa-7,9,13,15-tetrazatetracyclo[10.3.0.01,5.06,10]pentadeca-8,13-dien-2-yl]oxy]-3-[[(4,5-dibromo-1H-pyrrole-2-carbonyl)amino]methyl]-6-hydroxy-11-oxa-7,9,13,15-tetrazatetracyclo[10.3.0.01,5.06,10]pentadeca-8,13-dien-4-yl]methyl]-1H-pyrrole-2-carboxamide
|
1638.20
|
0.4
|
18
|
13
|
449.35
|
14
|
|
|
4,5-dibromo-N-[[(1S,2S,3S,4R,5S,6R,10R,12S)-8,14-diamino-2-[[(1S,2S,3S,4R,5R,6R,10R,12S)-8,14-diamino-3,4-bis[[(4,5-dibromo-1H-pyrrole-2-carbonyl)amino]methyl]-6-hydroxy-11-oxa-7,9,13,15-tetrazatetracyclo[10.3.0.01,5.06,10]pentadeca-8,13-dien-2-yl]oxy]-3-[[(4,5-dibromo-1H-pyrrole-2-carbonyl)amino]methyl]-6-hydroxy-11-oxa-7,9,13,15-tetrazatetracyclo[10.3.0.01,5.06,10]pentadeca-8,13-dien-4-yl]methyl]-1H-pyrrole-2-carboxamide
|
1638.20
|
0.4
|
18
|
13
|
449.35
|
14
|
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