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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
methyl (2S,3S,4R,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4,5-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylate
|
987.10
|
1.3
|
11
|
20
|
321.28
|
12
|
|
|
(2S,3S,4R,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4,5-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
973.10
|
1
|
12
|
20
|
332.28
|
11
|
|
|
(2S,3R,4S,5S)-2-[[(1S,2R,5R,7S,10R,11R,14R,15S,16S,18R,20R)-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-enyl)-16-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]oxane-3,4,5-triol
|
736.90
|
3.2
|
6
|
12
|
176.76
|
5
|
|
|
Coriandrone C
|
246.21
|
1.4
|
1
|
5
|
72.81
|
2
|
|
|
CID 101995281
|
352.40
|
2.6
|
2
|
7
|
102.29
|
6
|
|
|
Coriandrone E
|
248.23
|
1.5
|
1
|
5
|
68.9
|
1
|
|
|
2,3,5,7-Tetramethoxyphenanthrene
|
298.30
|
4.3
|
0
|
4
|
36.92
|
4
|
|
|
8-methoxy-2,2-dimethyl-6H-pyrano[3,2-c]quinolin-5-one
|
257.28
|
2
|
1
|
3
|
51.32
|
1
|
|
|
(1S,2R,4aS,6aR,6aS,6bR,8aR,9S,10S,11R,12aR,14bS)-10,11-dihydroxy-9-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
|
664.90
|
7.4
|
4
|
8
|
133.52
|
7
|
|
|
(4aS,6aR,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,2,6b,9,9,12a-hexamethyl-3,4,5,6,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydro-1H-picene-4a-carboxylic acid
|
751.00
|
4
|
7
|
12
|
195.6
|
6
|
|
|
[(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] (4aS,6aR,6bR,8aR,10S,12aR,14bS)-2,2,6b,9,9,12a-hexamethyl-10-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3,4,5,6,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydro-1H-picene-4a-carboxylate
|
913.10
|
1.6
|
10
|
17
|
274.75
|
9
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-[(1R,2S,3R,3'S,4R,5'S,6S,7S,8R,9S,12S,13R,16S)-3,3'-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
1079.20
|
-2.7
|
14
|
24
|
375.52
|
11
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-2-[(1R,2S,3R,3'S,4R,5'S,6S,7S,8R,9S,12S,13R,16S)-3,3'-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
917.00
|
-1.1
|
11
|
19
|
296.37
|
8
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-4-hydroxy-5-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy]oxan-2-yl]oxy-6-(hydroxymethyl)-2-[(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
1151.30
|
-1.4
|
13
|
25
|
373.75
|
12
|
|
|
Terrestrosin D
|
1049.20
|
-2
|
12
|
23
|
352.13
|
11
|
|
|
2-(5,10-Dihydroxy-2-methyl-1,4-dioxoanthracen-9-yl)-1,8-dihydroxy-3-methoxy-6-methylanthracene-9,10-dione
|
536.50
|
5.7
|
4
|
9
|
158.43
|
2
|
|
|
6-acetyl-8-[(E)-3-hydroxy-3-methylbut-1-enyl]-2,2-dimethyl-3H-chromen-4-one
|
302.40
|
2
|
1
|
4
|
63.6
|
3
|
|
|
1-[8-[(E)-3-hydroxy-3-methylbut-1-enyl]-2,2-dimethylchromen-6-yl]ethanone
|
286.40
|
2.9
|
1
|
3
|
46.53
|
3
|
|
|
(2S,2'R,8'S)-3',4,5',6-tetrahydroxy-2',8'-bis(4-hydroxyphenyl)spiro[1-benzofuran-2,9'-2,3,4,8-tetrahydrofuro[2,3-h]chromene]-3-one
|
542.50
|
4
|
6
|
10
|
166.14
|
2
|
|
|
(6aS,11aR,11bS)-6a,11b-dihydroxy-9-methoxy-10-(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromen-3-one
|
370.40
|
1.7
|
2
|
6
|
85.22
|
3
|
|
|
bis[(12S)-4,6,19,21-tetraoxa-13-azahexacyclo[10.10.1.02,10.03,7.016,23.018,22]tricosa-1(23),2(10),3(7),8,16,18(22)-hexaen-13-yl]methanone
|
644.60
|
5.4
|
0
|
9
|
97.39
|
0
|
|
|
(2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5S)-5-hydroxy-2-[(1S,2S,4S,5'S,6R,7S,8R,9S,12S,13R,14R,16R)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
841.00
|
0.5
|
8
|
16
|
235.68
|
6
|
|
|
1,9-Octacosanediol
|
426.80
|
11.9
|
2
|
2
|
40.46
|
26
|
|
|
1,10-Nonacosanediol
|
440.80
|
12.4
|
2
|
2
|
40.46
|
27
|
|
|
2-[(2R,3E,4R)-3-ethylidene-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-4-yl]acetic acid
|
404.40
|
-2
|
5
|
11
|
172.21
|
7
|
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