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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2S,3S,4aS,8R,8aS)-4,4,8a-trimethyl-7-methylidene-8-[(2Z)-3-methylpenta-2,4-dienyl]-2,3,4a,5,6,8-hexahydro-1H-naphthalene-2,3-diol
|
304.50
|
4.7
|
2
|
2
|
40.46
|
3
|
|
|
Mugineic acid
|
320.30
|
-6.7
|
6
|
10
|
167.63
|
10
|
|
|
methyl (1S,11S,17R,18E)-18-ethylidene-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carboxylate
|
322.40
|
2.3
|
1
|
4
|
41.57
|
2
|
|
|
(+)-O-Methylarmepavine
|
327.40
|
3.7
|
0
|
4
|
30.93
|
5
|
|
|
Acronyculatin B
|
334.40
|
3.7
|
2
|
5
|
75.99
|
5
|
|
|
4,6,9,11-tetrahydroxy-8,10-dimethyl-6H-chromeno[3,4-b]chromen-12-one
|
342.30
|
2.4
|
4
|
7
|
120.36
|
0
|
|
|
2-Cyclopentene-1-undecanoic acid
|
252.39
|
5.9
|
1
|
2
|
37.3
|
11
|
|
|
(2S,3R,4S,5S,6R)-2-[(3S,6S)-6,7-dihydroxy-3,7-dimethyloct-1-en-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
350.40
|
-1.2
|
6
|
8
|
139.84
|
8
|
|
|
CID 11068459
|
362.50
|
5.4
|
1
|
4
|
63.6
|
6
|
|
|
Chrysanthemol
|
154.25
|
2.5
|
1
|
1
|
20.23
|
2
|
|
|
(3S,3aS,6S,6aR)-3,6-bis(1,3-benzodioxol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-ol
|
370.40
|
1.6
|
1
|
7
|
75.61
|
2
|
|
|
Linarionoside A
|
374.50
|
0.2
|
5
|
7
|
119.61
|
6
|
|
|
1,2-Diphenylethane-1,2-diamine
|
212.29
|
1.4
|
2
|
2
|
52.04
|
3
|
|
|
cis-Bis(methylthio)silvatin
|
408.60
|
3.9
|
0
|
5
|
100.45
|
7
|
|
|
(3R,3aR,5aR,5bR,7aS,11aS,13R,13aS,13bR)-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysen-13-ol
|
426.70
|
9.4
|
1
|
1
|
20.23
|
1
|
|
|
Sterol
|
248.40
|
5.1
|
1
|
1
|
20.23
|
0
|
|
|
Dihydrogenistin
|
434.40
|
0.8
|
6
|
10
|
166.14
|
4
|
|
|
5-Hydroxy-3-(1-hydroxy-3-methylbut-2-enyl)-2-(4-methoxyphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one
|
434.50
|
5.1
|
2
|
6
|
89.13
|
4
|
|
|
(3S,8S,9S,10R,13S,14S,16S,17R)-17-[(2S)-2,6-dihydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol
|
434.70
|
4.6
|
4
|
4
|
80.92
|
5
|
|
|
Meliastatin 5
|
456.70
|
6.4
|
2
|
3
|
57.53
|
5
|
|
|
(1R,4S,5S,8S,9R,10S,13S,14R,16R,17S,22R)-8-hydroxy-4,9,10,14,17,20,20-heptamethyl-24-oxahexacyclo[14.6.2.01,14.04,13.05,10.017,22]tetracosan-23-one
|
456.70
|
7.9
|
1
|
3
|
46.53
|
0
|
|
|
(2R,3R,4S,5S,6R)-2-[(3R,5R)-1-(3,4-dihydroxyphenyl)-5-hydroxy-7-(4-hydroxyphenyl)heptan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
494.50
|
1.3
|
8
|
10
|
180.3
|
11
|
|
|
Glc(b1-6)Glc(b)-O-coumaroyl(3-OH)
|
504.40
|
-2.8
|
9
|
14
|
236.06
|
8
|
|
|
Glc(b1-2)[coumaroyl(3-OH)(-6)]a-Glc
|
504.40
|
-2.8
|
9
|
14
|
236.06
|
8
|
|
|
5-hydroxy-2-(hydroxymethyl)-3-[2-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-methoxy-6-methylchromen-4-one
|
506.50
|
0.3
|
7
|
12
|
199.51
|
6
|
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