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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(2R,3R,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
610.50
|
2.1
|
8
|
14
|
236.81
|
8
|
|
|
Cypellogin A
|
630.60
|
1.8
|
8
|
14
|
236.81
|
8
|
|
|
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxy-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]oxychromen-4-one
|
640.50
|
-1.5
|
10
|
17
|
278.66
|
8
|
|
|
(1S,4R,5S,17R,19S,20R)-8,20-dihydroxy-19-(hydroxymethyl)-5-(4-hydroxyphenyl)-7,9-dimethoxy-19-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,15,18-trioxatetracyclo[15.2.1.04,13.06,11]icosa-6,8,10,12-tetraene-3,14-dione
|
692.60
|
-1.2
|
8
|
17
|
260.59
|
7
|
|
|
[(2R,3R,4R,5S)-3,4,5-tris[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
|
772.60
|
2
|
12
|
21
|
357.19
|
13
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3R,4S,4aR,6aR,6bS,8aR,9S,10R,14bR)-9,10-dihydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2R,3S,4R,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
|
959.10
|
1.2
|
12
|
19
|
315.21
|
9
|
|
|
(2R,3R,4S)-4-hydroxyisoleucine
|
147.17
|
-2.8
|
3
|
4
|
83.55
|
3
|
|
|
Frustulosinol
|
204.22
|
2.7
|
3
|
3
|
60.69
|
3
|
|
|
Senkyunolide I
|
224.25
|
0.5
|
2
|
4
|
66.76
|
2
|
|
|
6-methoxy-7-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
|
354.31
|
-1.1
|
4
|
9
|
138.82
|
4
|
|
|
9H-1,7a-(Epoxymethano)-1H,6aH-cyclopenta[c]furo[2,3-b]furo[3',2':3,4]cyclopenta[1,2-d]furan-5,9,12(4H)-trione, 3-tert-butylhexahydro-4,7b-dihydroxy-8-methyl-
|
408.40
|
0.6
|
2
|
9
|
128.59
|
1
|
|
|
(3S,3aR,6S,6aS,9aS,9bR)-3,6a-dihydroxy-3-(hydroxymethyl)-6,9a-dimethyl-4,5,6,9b-tetrahydro-3aH-azuleno[8,7-b]furan-2,9-dione
|
296.31
|
0
|
3
|
6
|
104.06
|
1
|
|
|
[(7S,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-4-methylpentanoate
|
313.39
|
-0.1
|
3
|
6
|
90.23
|
7
|
|
|
Tagalsin A
|
316.40
|
4.8
|
1
|
3
|
49.83
|
1
|
|
|
(3S,4R,4aS,4bS,5R,7R,10aS)-7-ethenyl-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-3,4,5-triol
|
320.50
|
3.2
|
3
|
3
|
60.69
|
1
|
|
|
(13aR)-3,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,9-diol
|
327.40
|
2.6
|
2
|
5
|
62.16
|
2
|
|
|
1-Hydroxy-2,3,4,6-tetramethoxyxanthone
|
332.30
|
3
|
1
|
7
|
87.36
|
4
|
|
|
methyl (2S,4aS,4bR,8aS,10aS)-6-hydroxy-2,4a,8a-trimethyl-8-methylidene-7-oxo-3,4,4b,9,10,10a-hexahydro-1H-phenanthrene-2-carboxylate
|
332.40
|
4.5
|
1
|
4
|
63.6
|
2
|
|
|
1,4-Dimethylcyclohexane
|
112.21
|
3.8
|
0
|
0
|
0
|
0
|
|
|
(4S)-3-(hydroxymethyl)-5,5-dimethyl-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]cyclohex-2-en-1-one
|
346.37
|
-2.1
|
5
|
8
|
136.68
|
5
|
|
|
[(1S,4aR,6S,6aS,7R,11aS,11bS)-4a,6-dihydroxy-4,4,7,11b-tetramethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-1-yl] acetate
|
376.50
|
3.2
|
2
|
5
|
79.9
|
2
|
|
|
[(1R,2S,6R,10S,11R,13S,15R)-8-formyl-1,6-dihydroxy-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] acetate
|
388.50
|
1.2
|
2
|
6
|
100.9
|
3
|
|
|
4-Methylcyclohexanol
|
114.19
|
1.8
|
1
|
1
|
20.23
|
0
|
|
|
Dorsomorphin
|
399.50
|
3.4
|
0
|
5
|
55.55
|
6
|
|
|
Stachydrine
|
143.18
|
1
|
0
|
2
|
40.13
|
0
|
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