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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1R,2S,4S,8R,9S,12S,13S,16S,18S)-16-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,9,13-trimethyl-6-[3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-6-en-10-one
|
1211.30
|
-4.4
|
16
|
28
|
442.28
|
18
|
|
|
(1R,2S,4S,7S,8R,9S,12S,13S,16S,18S)-16-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxy-7,9,13-trimethyl-6-[3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-10-one
|
1229.30
|
-4.6
|
17
|
29
|
462.51
|
18
|
|
|
[(9S)-9-[(2R,3R,4S,5S,6R)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]-4,5,9-trihydroxy-10-oxoanthracen-2-yl]methyl (2R,3S)-3-hydroxy-2-methylbutanoate
|
576.50
|
-0.4
|
7
|
13
|
220.51
|
9
|
|
|
6,14,15,16-Tetramethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene-11,12-dione
|
367.40
|
3.1
|
1
|
6
|
83.09
|
4
|
|
|
[(S)-[(2S)-2-hydroxy-3-methyl-5-oxo-2H-furan-4-yl]-[(1S,3S,4R,5R,6R)-3-methoxy-5,6-dimethyl-2-oxabicyclo[2.2.2]octan-5-yl]methyl] (Z)-2-methylbut-2-enoate
|
394.50
|
2.4
|
1
|
7
|
91.29
|
6
|
|
|
4-[2-[(1R,4aS,8aS)-5,5-bis(hydroxymethyl)-8a-methyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one
|
334.40
|
3
|
2
|
4
|
66.76
|
5
|
|
|
(1R,3aS,5aR,5bR,7R,7aR,11aR,11bR,13aR,13bS)-7-hydroxy-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysene-2,9-dione
|
454.70
|
6.8
|
1
|
3
|
54.37
|
1
|
|
|
3-Ethoxy-5-methoxy-2-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaene-6,13-diol
|
314.30
|
3
|
2
|
5
|
68.15
|
3
|
|
|
(1S,2R,3R,4S,5S,6S,8S,9S,10R,13S,16S,17R)-8-ethoxy-11-ethyl-6,16-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-ol
|
449.60
|
1.8
|
1
|
6
|
60.39
|
7
|
|
|
(4aR,6aS,6aS,6bR,8aR,12aR,14aR,14bS)-3-hydroxy-4,6a,6b,8a,14a-pentamethyl-11-methylidene-2-oxo-5,6,6a,7,8,9,10,12,12a,13,14,14b-dodecahydro-1H-picene-4a-carbaldehyde
|
438.60
|
6.4
|
1
|
3
|
54.37
|
1
|
|
|
1-(5-Methoxy-2,2-dimethylchromen-6-yl)-3-phenylpropane-1,3-dione
|
336.40
|
4
|
0
|
4
|
52.6
|
5
|
|
|
(3R)-3-[2-(dimethylamino)phenyl]-3-hydroxy-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one
|
321.40
|
2
|
1
|
4
|
58.36
|
2
|
|
|
(3R)-3-hydroxy-7-methoxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
|
232.23
|
0.4
|
1
|
4
|
64.35
|
1
|
|
|
methyl (4S,5Z,6S)-4-[2-[(2R,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-5-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-2-oxoethyl]-5-ethylidene-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
|
1010.90
|
-1.7
|
12
|
25
|
386.27
|
20
|
|
|
[(1R,2E,8R,10R,11S)-8,10,11-trihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-6-yl]methyl acetate
|
354.40
|
-1.5
|
3
|
8
|
122.52
|
3
|
|
|
[(9S)-4,5,9-trihydroxy-10-oxo-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracen-2-yl]methyl (2R,3S)-3-hydroxy-2-methylbutanoate
|
534.50
|
-0.4
|
8
|
12
|
214.44
|
7
|
|
|
7,16-Dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),9,11,14(19),15,17-octaen-13-one
|
335.30
|
3.3
|
0
|
6
|
66.88
|
2
|
|
|
[(4aR,5S,7R,8aR,9aS)-3,4a,5-trimethyl-2-oxo-4,5,6,7,8,8a,9,9a-octahydrobenzo[f][1]benzofuran-7-yl] (Z)-2-methylbut-2-enoate
|
332.40
|
3.9
|
0
|
4
|
52.6
|
3
|
|
|
(3S,4S,5R,6S)-5-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-[[(1S,2R,5R,7S,10R,11R,14R,15S,16S,20R)-16-hydroxy-2,6,6,10,16-pentamethyl-17-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]oxane-3,4-diol
|
736.90
|
3.6
|
6
|
12
|
176.76
|
6
|
|
|
(1S,4aS,7aS)-7-(acetyloxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
|
416.40
|
-2.1
|
5
|
11
|
172.21
|
7
|
|
|
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,4aS)-7-(acetyloxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6-tetrahydrocyclopenta[c]pyran-4-carboxylate
|
578.50
|
-4.1
|
8
|
16
|
251.36
|
10
|
|
|
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,4aS)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6-tetrahydrocyclopenta[c]pyran-4-carboxylate
|
536.50
|
-4.7
|
9
|
15
|
245.29
|
8
|
|
|
[(2S,3R,4S,5R,6R)-4-acetyloxy-6-(acetyloxymethyl)-2-[[(3S,4R,4aS)-4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]-5-[2-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoyl]oxyoxan-3-yl] 2,3-dihydroxybenzoate
|
876.80
|
2
|
7
|
22
|
319.26
|
17
|
|
|
(1S,4S,7R,8S,11S,12S,13S)-13-ethenyl-1,7-dihydroxy-12-methyl-2,10-dioxatetracyclo[5.4.1.18,11.04,12]tridecan-9-one
|
266.29
|
0.1
|
2
|
5
|
75.99
|
1
|
|
|
(1S,3S,6R,8R,10R)-8-hydroxy-3,10-dimethyl-2,9-dioxatricyclo[4.3.1.03,8]decan-5-one
|
198.22
|
-0.2
|
1
|
4
|
55.76
|
0
|
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