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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Agrimol D
|
654.70
|
7.1
|
7
|
12
|
211.28
|
12
|
|
|
(1S)-1-[[4-[5-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxyphenoxy]phenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol
|
654.80
|
6.7
|
1
|
9
|
82.09
|
11
|
|
|
HeteroclitinJ
|
578.60
|
2.8
|
1
|
11
|
136.05
|
7
|
|
|
(3S,4S,5R)-4-[(3R)-3-[(2S,3R,5R,9R,10R,13R,14S,17S)-3,14-dihydroxy-10,13-dimethyl-6-oxo-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-hydroxy-2-oxobutyl]-3,5-dimethyloxolan-2-one
|
680.80
|
-0.6
|
7
|
13
|
220.51
|
7
|
|
|
[(1R,2R)-1-[(2S,3S,4R,5R)-3-ethyl-5-hydroxy-4-methyloxolan-2-yl]-2-hydroxy-2-[(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] acetate
|
564.70
|
1.5
|
5
|
9
|
153.75
|
6
|
|
|
methyl (2S,3R,4S)-3-ethenyl-4-[[(2S,6S)-6-[2-(4-hydroxyphenyl)ethyl]-4-oxooxan-2-yl]methyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
|
578.60
|
0.7
|
5
|
12
|
181.44
|
11
|
|
|
2,3,4,5-tetramethoxy-1-[(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]oxyxanthen-9-one
|
656.60
|
-1.5
|
7
|
17
|
245.66
|
10
|
|
|
(2-methoxy-4-methoxycarbonylphenyl) (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate
|
620.90
|
9.9
|
1
|
6
|
82.06
|
7
|
|
|
(3S,8R,9S,10R,13S,14S,17Z)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-17-[(6R)-6-methyl-3-oxo-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-ylidene]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-16-one
|
899.00
|
-0.4
|
10
|
18
|
291.82
|
13
|
|
|
[(1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-(2-methylpropanoylamino)benzoate
|
656.80
|
2.4
|
3
|
10
|
136.02
|
11
|
|
|
(2S)-N-[(2S)-1-[(3S,7S,10S,13Z)-10-[(2S)-butan-2-yl]-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.2.2.03,7]nonadeca-1(18),13,15(19),16-tetraen-6-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-methyl-2-(methylamino)pentanamide
|
656.80
|
5
|
5
|
6
|
144.66
|
10
|
|
|
(1S,2S,4aR,5R,8aS)-4a-methyl-8-methylidene-2-prop-1-en-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalene-1,5-diol
|
236.35
|
2.6
|
2
|
2
|
40.46
|
1
|
|
|
[(1S,2R,3R,4S,5R,6S,8R,9R,10R,13S,16S,17R,18R)-8-acetyloxy-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 3,4-dimethoxybenzoate
|
657.80
|
3.2
|
0
|
11
|
111.22
|
13
|
|
|
5-(12-Nonadecenyl)resorcinol
|
374.60
|
10.3
|
2
|
2
|
40.46
|
17
|
|
|
(2S,3S,4R,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aS,12aR,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-8-oxo-1,2,3,4a,5,6,7,8a,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid
|
750.90
|
2.3
|
7
|
13
|
212.67
|
6
|
|
|
(4aR,5R,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-5,10-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
488.70
|
6.2
|
4
|
5
|
97.99
|
2
|
|
|
Rha(a1-3)[coumaroyl(3-OH)(-6)]Glc(b)-O-Bn
|
578.60
|
-0.3
|
7
|
13
|
204.83
|
10
|
|
|
Rha(a1-3)[coumaroyl(3-OH)(-4)]Glc(b)-O-Bn
|
578.60
|
-0.3
|
7
|
13
|
204.83
|
10
|
|
|
Rha(a1-3)[coumaroyl(-4)]Glc(b)-O-Bn
|
562.60
|
0.1
|
6
|
12
|
184.6
|
10
|
|
|
Rha(a1-3)[coumaroyl(3-OH)(-4)]Glc2Ac(b)-O-EtPh(4-OH)
|
650.60
|
0.4
|
7
|
15
|
231.13
|
13
|
|
|
[(2R,3R,4S,5R,6R)-5-acetyloxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethoxy]-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
|
680.60
|
0.4
|
7
|
16
|
240.36
|
14
|
|
|
[(2R,3R,4S,5R,6R)-5-acetyloxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3-hydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
650.60
|
0.4
|
7
|
15
|
231.13
|
13
|
|
|
(2R,3R)-2-[3-[5-[(3S,3aR,6S,6aR)-3-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-hydroxy-3-methoxyphenyl]-4,5-dihydroxyphenyl]-3,5,7-trihydroxy-2,3-dihydrochromen-4-one
|
660.60
|
3.5
|
7
|
13
|
204.83
|
6
|
|
|
(2R,3S,4S,5R,6S)-6-[[6-[(3S,3aR,6R,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-1,3-benzodioxol-5-yl]oxy]-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
|
664.60
|
-0.7
|
6
|
16
|
213.68
|
8
|
|
|
(14S)-11-hydroxy-9,19,20,21,25-pentamethoxy-15-methyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-1(30),3(36),4,6(35),8,10,12(34),18(33),19,21,24,26,28,31-tetradecaen-2-one
|
664.70
|
6.4
|
1
|
11
|
118.04
|
5
|
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