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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
2-[(1R,4S,5S,6S,9S)-5-(carboxymethyl)-5,9-dimethyl-4-tricyclo[7.2.1.01,6]dodec-10-enyl]-2-methylpropanoic acid
|
334.40
|
4.9
|
2
|
4
|
74.6
|
4
|
|
|
(3R,4S,5S)-4-hydroxy-5-methyl-3-(13-phenyltridecyl)oxolan-2-one
|
374.60
|
7.9
|
1
|
3
|
46.53
|
14
|
|
|
(3R,4S,5S)-4-hydroxy-5-methyl-3-(11-phenylundecyl)oxolan-2-one
|
346.50
|
6.9
|
1
|
3
|
46.53
|
12
|
|
|
(3R,4S,5S)-3-[(Z)-hexadec-7-enyl]-4-hydroxy-5-methyloxolan-2-one
|
338.50
|
7.2
|
1
|
3
|
46.53
|
14
|
|
|
methyl (4S,5E,6S)-5-ethylidene-6-[(2S,3R,4S,5S,6R)-6-[[2-[(2S,3Z,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]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-[2-[(2Z)-2-[(2S,4S)-5-methoxycarbonyl-4-(2-methoxy-2-oxoethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-ylidene]ethoxy]-2-oxoethyl]-4H-pyran-3-carboxylate
|
1207.10
|
-6
|
11
|
32
|
463.4
|
27
|
|
|
methyl (4S,5E,6S)-5-ethylidene-6-[(2S,3R,4S,5S,6R)-6-[[2-[(2S,3Z,4S)-3-[2-[2-[(2S,3Z,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]oxyethylidene]-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-4-yl]acetyl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylate
|
1207.10
|
-6
|
11
|
32
|
463.4
|
27
|
|
|
methyl (4S,5Z,6S)-5-ethylidene-4-[2-[2-[4-[2-[(2S,3Z,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-[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]oxyphenyl]ethoxy]-2-oxoethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
|
1313.20
|
-3.9
|
12
|
33
|
483.63
|
29
|
|
|
methyl (4S,5E,6S)-5-ethylidene-4-[2-[2-[4-[2-[(2S,3E,4S)-3-ethylidene-2-[(2S,3R,4S,5S,6R)-6-[[2-[(2S,3Z,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]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-methoxycarbonyl-4H-pyran-4-yl]acetyl]oxyphenyl]ethoxy]-2-oxoethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
|
1297.20
|
-3.6
|
11
|
32
|
463.4
|
29
|
|
|
methyl (4S,5E,6S)-5-ethylidene-6-[(2S,3R,4S,5S,6R)-6-[[2-[(2S,3Z,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]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-[2-[2-[4-[2-[(2S,3Z,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]oxyphenyl]ethoxy]-2-oxoethyl]-4H-pyran-3-carboxylate
|
1297.20
|
-3.6
|
11
|
32
|
463.4
|
29
|
|
|
5-[2-(3-Hydroxyphenyl)ethyl]-2,4-bis[(4-hydroxyphenyl)methyl]-3-methoxyphenol
|
456.50
|
6.5
|
4
|
5
|
90.15
|
8
|
|
|
3-[2-(3-Hydroxyphenyl)ethyl]-2,6-bis[(4-hydroxyphenyl)methyl]-5-methoxyphenol
|
456.50
|
6.5
|
4
|
5
|
90.15
|
8
|
|
|
(2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one
|
756.70
|
-2.2
|
10
|
19
|
293.21
|
9
|
|
|
Dehydrodiscretamine
|
324.30
|
1.1
|
2
|
4
|
60.2
|
2
|
|
|
10-Hydroxy-2,9-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-3-one
|
323.30
|
1.1
|
1
|
5
|
59
|
2
|
|
|
[(1S,2R,3R,4S,5R,6S,8S,9S,10R,13S,16S,17R)-8-acetyloxy-11-ethyl-16-hydroxy-6-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] acetate
|
491.60
|
1.5
|
1
|
8
|
94.53
|
8
|
|
|
7-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
|
756.70
|
-3.1
|
12
|
20
|
328.35
|
10
|
|
|
(4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-4-[(2S,3R,4R,5R)-5-acetyloxy-3,4-dihydroxyoxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-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
|
925.10
|
2.7
|
8
|
17
|
260.59
|
10
|
|
|
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
|
638.60
|
-0.6
|
8
|
16
|
247.43
|
8
|
|
|
(4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-4-[(2S,3R,4R,5S)-4,5-diacetyloxy-3-hydroxyoxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-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
|
967.10
|
3.3
|
7
|
18
|
266.66
|
12
|
|
|
[(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-[3-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoyl]oxyoxan-3-yl] 2,3-dihydroxybenzoate
|
876.80
|
1.5
|
7
|
22
|
319.26
|
17
|
|
|
(2S,3R,4R,5R,6S)-2-[(2S,3R,4R,5R,6S)-2-[(3R,4S,5R,6S)-6-[(2S,3R,4S,5R)-4,5-dihydroxy-2-[[(1S,2S,4S,7S,8R,9S,12S,13R)-6-hydroxy-7,9,13-trimethyl-6-[(3R)-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-18-en-16-yl]oxy]oxan-3-yl]oxy-4-hydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
1283.40
|
-3.7
|
16
|
29
|
443.67
|
17
|
|
|
[6]-Dehydroshogaol
|
274.35
|
4.6
|
1
|
3
|
46.53
|
8
|
|
|
(1E,4E)-1-(4-hydroxy-3-methoxyphenyl)tetradeca-1,4-dien-3-one
|
330.50
|
6.8
|
1
|
3
|
46.53
|
12
|
|
|
[(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)-2-methyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoate
|
696.60
|
-2
|
11
|
17
|
293.59
|
10
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-methyloxane-3,4,5-triol
|
462.50
|
0.2
|
6
|
10
|
158.3
|
9
|
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