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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(1R,4aR,5R,8aR)-4a-formyl-1-methyl-6-methylidene-5-[2-(5-oxo-2H-furan-4-yl)ethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl acetate
|
374.50
|
3.2
|
0
|
5
|
69.67
|
7
|
|
|
(1S,2R,4aS,6aR,6aR,6bR,8aS,10S,12aR,14bR)-10-hydroxy-6a-[(4-hydroxyphenoxy)methyl]-1,2,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
|
564.80
|
7.9
|
3
|
5
|
86.99
|
4
|
|
|
(3I(2),4I(2),22I(2))-22-[[(2R)-3,4-Dihydro-5-hydroxy-6-methyl-4-oxo-2H-pyran-2-yl]oxy]-23-hydroxyolean-12-en-3-yl O-I(2)-D-glucopyranosyl-(1a2)-O-I+/--L-arabinopyranosyl-(1a2)-I(2)-D-glucopyranosiduronic acid
|
1055.20
|
2.6
|
11
|
21
|
330.51
|
11
|
|
|
(2Z,5S,6R)-2-[(2R,4aS,6R,8aR)-2-[(2S,5R)-5-bromo-2,6,6-trimethyloxan-2-yl]-4a-methyl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-6-yl]-6,10-dimethylundeca-2,9-diene-5,6-diol
|
571.60
|
6
|
2
|
5
|
68.15
|
8
|
|
|
1-(prop-2-enyldisulfanyl)-3-[(R)-prop-2-enylsulfinyl]prop-1-ene
|
234.40
|
1.7
|
0
|
4
|
86.88
|
8
|
|
|
methyl 3-[[(1S)-1-butyl-1,6-dihydroxy-3-oxo-2-benzofuran-4-yl]oxy]-4,6-dihydroxy-2-pentylbenzoate
|
474.50
|
5.7
|
4
|
9
|
142.75
|
11
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3R,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6R)-5-[(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-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxycarbonyl-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
|
1205.30
|
-0.4
|
14
|
26
|
409.66
|
13
|
|
|
(1S,4aS,10aS)-6-[(4bR,8R,8aR)-8-carboxy-2-hydroxy-4b,8-dimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl]-7-hydroxy-1,4a-dimethyl-8-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
|
630.90
|
10.2
|
4
|
6
|
115.06
|
5
|
|
|
5,8-dihydroxy-1,5,8-trimethyl-3a,4,5a,6,7,8a,9,9a-octahydro-1H-azuleno[6,5-b]furan-2-one
|
268.35
|
1.3
|
2
|
4
|
66.76
|
0
|
|
|
(2R,3S,4aR,5S,6R,7R,8aR)-3-(4-hydroxy-3-methoxyphenyl)-2,7-bis(hydroxymethyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxine-5,6-diol
|
356.40
|
-0.6
|
5
|
8
|
128.84
|
4
|
|
|
(5S,8R,9S,10S,13S,14S,16S,17R)-16-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-17-[(2S,3S,6S)-3,7-dihydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
|
742.90
|
2.2
|
8
|
13
|
215.83
|
11
|
|
|
(3R,6R)-6-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-(hydroxymethyl)-3,6-dihydro-1,2-dioxine-4-carbaldehyde
|
334.40
|
3.5
|
1
|
4
|
55.76
|
3
|
|
|
[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4R,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (1R,3aS,5aR,5bR,7aR,8S,9S,11aR,11bR,13aR,13bR)-9-hydroxy-8-(hydroxymethyl)-5a,5b,8,11a-tetramethyl-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
|
945.10
|
1
|
12
|
19
|
315.21
|
11
|
|
|
[(2S,3R,4R,5S,6S)-6-methyl-5-[(E)-2-methylbut-2-enoyl]oxy-2-[[(1S,3S,5R,6R,7S,8R,20S,22R,24R,25S,26S,27R,29S,31R,32R,33R)-6,25,26,32-tetrahydroxy-5,31-bis(hydroxymethyl)-24-methyl-7-[(2S)-2-methylbutanoyl]oxy-10-oxo-20-pentyl-2,4,9,21,23,28,30-heptaoxatetracyclo[27.3.1.03,8.022,27]tritriacontan-33-yl]oxy]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl] (2S,3R)-3-hydroxy-2-methylbutanoate
|
1299.40
|
3.6
|
11
|
29
|
420.03
|
22
|
|
|
(6aS,11bS)-9-methoxy-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,6a,10-triol
|
300.30
|
1.9
|
3
|
5
|
79.15
|
1
|
|
|
methyl (4S,5E,6S)-5-ethylidene-4-[2-[[(1S,2R,3R,5R)-3-[2-[(2S,3E,4S)-3-ethylidene-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-4-yl]acetyl]oxy-5-[(2R)-1-[2-[(2S,3E,4S)-3-ethylidene-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-4-yl]acetyl]oxy-3-hydroxypropan-2-yl]-2-methylcyclopentyl]methoxy]-2-oxoethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
|
1363.30
|
-4.5
|
13
|
34
|
503.86
|
31
|
|
|
methyl (4S,5E,6S)-5-ethylidene-4-[2-[[(1S,2R,3R,5R)-3-[2-[(2S,3E,4S)-3-ethylidene-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-4-yl]acetyl]oxy-5-[(2S)-1-[2-[(2S,3E,4S)-3-ethylidene-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-4-yl]acetyl]oxy-3-hydroxypropan-2-yl]-2-methylcyclopentyl]methoxy]-2-oxoethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
|
1363.30
|
-4.5
|
13
|
34
|
503.86
|
31
|
|
|
5-Hydroxy-2-propoxynaphthalene-1,4-dione
|
232.23
|
2.7
|
1
|
4
|
63.6
|
3
|
|
|
(2R)-2-[(3S,8S,9S,10R,13S,14S,16R,17R)-3,16-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1-[(3S)-3-methyl-3,4-dihydro-2H-pyrrol-5-yl]propan-1-one
|
427.60
|
3.7
|
2
|
4
|
69.89
|
3
|
|
|
N-[(2S)-1-[(1R,12R,13S,14R,15S)-1,15-dihydroxy-3-methoxy-12-(4-methoxyphenyl)-14-phenyl-5,7,11-trioxatetracyclo[10.2.1.02,10.04,8]pentadeca-2,4(8),9-triene-13-carbonyl]pyrrolidin-2-yl]-2-methylpropanamide
|
630.70
|
3.7
|
3
|
9
|
136.02
|
7
|
|
|
(2S,3R,4R,5S,6R)-2-(hydroxymethyl)-6-[(2R)-1-hydroxytrideca-5,7,9,11-tetrayn-2-yl]oxyoxane-3,4,5-triol
|
362.40
|
0
|
5
|
7
|
119.61
|
9
|
|
|
1-[(2R,6R)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]pentan-2-one
|
303.40
|
2.9
|
1
|
3
|
40.54
|
7
|
|
|
6-O-[(2S)-butan-2-yl] 5-O-[(Z)-2-methylbut-1-enyl] (3R,3aS,4R,5S,6S,7aS)-3-[(1S)-1-acetyloxyethyl]-7-methylidene-4-[(2S)-2-methyloxiran-2-yl]-2-oxo-3,3a,4,5,6,7a-hexahydro-1H-indene-5,6-dicarboxylate
|
504.60
|
3.5
|
0
|
8
|
108.5
|
12
|
|
|
2-methyl-5-[(2S,5R)-2-methyl-5-prop-1-en-2-yloxolan-2-yl]furan
|
206.28
|
3.1
|
0
|
2
|
22.37
|
2
|
|
|
[(3S,4aR,5S,6R,6aS,7S,10R,10aR,10bR)-5,6-diacetyloxy-7-hydroxy-4a,6a,7,10b-tetramethyl-2'-oxospiro[1,2,5,6,10,10a-hexahydrobenzo[f]chromene-3,4'-oxolane]-10-yl] benzoate
|
570.60
|
2.9
|
1
|
10
|
134.66
|
7
|
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