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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(2S,3R,4R,5S,6S)-3,5-dihydroxy-2-[[(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl]oxy]-6-methyloxan-4-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate
|
668.60
|
-1.7
|
7
|
16
|
235.82
|
11
|
|
|
Verbascoside A
|
668.60
|
-1.7
|
7
|
16
|
235.82
|
11
|
|
|
[(2S,3R,4S,5R,6S)-4,5-dihydroxy-6-[[(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl]oxy]-2-methyloxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
|
670.60
|
-2.4
|
9
|
17
|
267.05
|
10
|
|
|
[(2S,3R,4R,5S,6S)-3,5-dihydroxy-2-[[(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl]oxy]-6-methyloxan-4-yl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
|
698.70
|
-1.7
|
7
|
17
|
245.05
|
12
|
|
|
(5S,6R)-6-hydroxy-7-methylidene-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydrocyclopenta[c]pyran-1-one
|
342.30
|
-2.8
|
5
|
9
|
149.82
|
3
|
|
|
Sapintoxin C
|
523.60
|
3.4
|
3
|
8
|
122.16
|
6
|
|
|
Kirenol
|
338.50
|
2
|
4
|
4
|
80.92
|
3
|
|
|
[(2R,3R,4R,5S,6S)-2-[[(2R,3S,4S,5R,6S)-6-[(2S,3S,4R,5R,6R)-3,5-dihydroxy-2-methyl-6-[(2Z,6E,10E,14S)-2,6,10,14-tetramethyl-14-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadeca-2,6,10,15-tetraenoxy]oxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,5-dihydroxy-6-methyloxan-4-yl] (2E,4R,6E,10E,14S)-4-hydroxy-2,6,10,14-tetramethyl-14-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadeca-2,6,10,15-tetraenoate
|
1403.60
|
2.5
|
16
|
28
|
442.28
|
37
|
|
|
[(1S,2R)-1-[(10S,11S)-3,4,5,11,17,18,19-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]-3-oxo-1-(3,4,5-trihydroxybenzoyl)oxypropan-2-yl] 2-[[(11R,12R,13S,14S,37S,38R,39R,56R)-11,37-diformyl-4,5,6,14,21,22,25,26,30,31,32,44,45,46,49,50,56-heptadecahydroxy-9,17,35,41,53,59-hexaoxo-12,38-bis[(3,4,5-trihydroxybenzoyl)oxy]-2,10,16,28,36,40,54,60-octaoxanonacyclo[37.11.6.413,27.03,8.018,23.029,34.042,47.048,52.024,58]hexaconta-1(50),3,5,7,18,20,22,24,26,29,31,33,42,44,46,48,51,57-octadecaen-20-yl]oxy]-3,4,5-trihydroxybenzoate
|
2353.60
|
2.7
|
36
|
66
|
1122.78
|
19
|
|
|
(5Z,8Z,11Z,14Z)-Ethyl icosa-5,8,11,14-tetraenoate
|
332.50
|
7
|
0
|
2
|
26.3
|
16
|
|
|
N-[[(1R,2S,3S,4R)-2,3-bis(2-amino-1H-imidazol-5-yl)-4-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]methyl]cyclobutyl]methyl]-4-bromo-1H-pyrrole-2-carboxamide
|
620.30
|
1.2
|
8
|
6
|
199.18
|
8
|
|
|
[(1S,3S,5S,7S,9S,10S,12R,14S,15S,18S,19S,20S,22S,23S)-14-formyl-9,10,22-trihydroxy-7,18-dimethyl-19-(5-oxo-2H-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosan-20-yl] acetate
|
590.70
|
0.5
|
3
|
11
|
158.05
|
4
|
|
|
4,4'-Dihydroxy-3,3'-dimethoxybenzophenone
|
274.27
|
2.5
|
2
|
5
|
75.99
|
4
|
|
|
Heyneaninehydroxyindolenine
|
370.40
|
1.3
|
2
|
6
|
82.36
|
3
|
|
|
Glycyrdione A
|
408.50
|
6.5
|
3
|
5
|
94.83
|
8
|
|
|
2-(11,12-Dihydroxy-3,8-dioxo-2,7-dioxatricyclo[7.3.1.05,13]trideca-1(13),4,9,11-tetraen-4-yl)acetic acid
|
292.20
|
-0.4
|
3
|
8
|
134.27
|
2
|
|
|
(2Z)-2-[(2R,3S,4S)-4-hydroxy-2-(3-hydroxypropyl)-3,4-dimethyl-3-[(3E,5E,7E)-4,8,12-trimethyltrideca-3,5,7,11-tetraenyl]cyclohexylidene]propanal
|
456.70
|
7
|
2
|
3
|
57.53
|
12
|
|
|
(2Z)-2-[(2R,3S,4S)-4-hydroxy-3-(hydroxymethyl)-2-(3-hydroxypropyl)-4-methyl-3-[(3E,5E,7E)-4,8,12-trimethyltrideca-3,5,7,11-tetraenyl]cyclohexylidene]propanal
|
472.70
|
6.3
|
3
|
4
|
77.76
|
13
|
|
|
(4R,4aS,6aR,6bS,8aR,11R,12S,12aR,14aR,14bS)-4,6a,6b,8a,11,12,14b-heptamethyl-1,2,3,4,4a,5,6,7,8,9,10,11,12,12a,14,14a-hexadecahydropicene
|
396.70
|
10.1
|
0
|
0
|
0
|
0
|
|
|
4-(4-Hydroxy-2-methyl-5-propan-2-ylphenyl)-5-methyl-2-propan-2-ylphenol
|
298.40
|
5.8
|
2
|
2
|
40.46
|
3
|
|
|
(2R,3S,4S,5R,6S)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-(3,4,5-trimethoxyphenoxy)oxane-3,4-diol
|
478.40
|
-1.5
|
6
|
13
|
185.99
|
9
|
|
|
(4S)-4-[(E,3R)-3-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxybut-1-enyl]-4-hydroxy-3,5,5-trimethylcyclohex-2-en-1-one
|
518.60
|
-2.8
|
7
|
12
|
195.6
|
8
|
|
|
(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[[(1S,2R,3R)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
744.70
|
-1.7
|
10
|
18
|
276.14
|
13
|
|
|
(2R,3R,4S,5S,6R)-2-[[(1S,2R,3R)-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
744.70
|
-1.4
|
10
|
18
|
276.14
|
13
|
|
|
(2R,3R,4S,5S,6R)-2-[(1R,2R)-2,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
376.36
|
-2.2
|
7
|
10
|
169.3
|
7
|
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