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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
methyl (2E,6R)-2-(hydroxymethyl)-6-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyocta-2,7-dienoate
|
360.40
|
-0.6
|
4
|
8
|
125.68
|
9
|
|
|
Sapintoxin A
|
523.60
|
3.3
|
3
|
8
|
122.16
|
7
|
|
|
1,4-Naphthalenedione, 2-[3-(benzoyloxy)-2,2-dimethylpropyl]-3-hydroxy-
|
364.40
|
3.9
|
1
|
5
|
80.67
|
6
|
|
|
(E)-N-[4-[2-formyl-5-(hydroxymethyl)pyrrol-1-yl]butyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
|
372.40
|
1.3
|
3
|
5
|
100.79
|
10
|
|
|
Citramalic acid
|
148.11
|
-0.9
|
3
|
5
|
94.83
|
3
|
|
|
Isolicopyranocoumarin
|
384.40
|
2.8
|
3
|
7
|
109.36
|
2
|
|
|
Sphondin
|
216.19
|
2.2
|
0
|
4
|
52.58
|
1
|
|
|
Hypoglycin B
|
270.28
|
-3.2
|
4
|
6
|
129.72
|
8
|
|
|
tardioxopiperazine A
|
393.50
|
5.1
|
3
|
2
|
73.99
|
6
|
|
|
tardioxopiperazine B
|
393.50
|
5.1
|
3
|
2
|
73.99
|
6
|
|
|
[(4R,12S,15R,16R)-14,14-dimethyl-6-oxo-4-phenyl-3,11,13-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),8-trien-15-yl] acetate
|
394.40
|
3.1
|
0
|
6
|
71.06
|
3
|
|
|
(2S,3R,4S,5S,6R)-2-[2-[(2S,4aS,8S,8aS)-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
402.50
|
1.4
|
5
|
7
|
119.61
|
4
|
|
|
methyl (1R,4aS,5R,7R,9R,10aR)-9-acetyloxy-7-ethenyl-5-hydroxy-1,4a,7-trimethyl-8-oxo-2,3,4,5,6,9,10,10a-octahydrophenanthrene-1-carboxylate
|
404.50
|
2.7
|
1
|
6
|
89.9
|
5
|
|
|
2-[(2R,4S,4aS,8S)-4a,8-dimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl]prop-2-enoic acid
|
412.50
|
1.1
|
5
|
8
|
136.68
|
5
|
|
|
(+)-Buxaminol C
|
414.70
|
4.7
|
2
|
3
|
35.5
|
3
|
|
|
(3S)-8-hydroxy-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3,4-dihydroisochromen-1-one
|
418.40
|
1.4
|
5
|
9
|
145.91
|
4
|
|
|
(2S,3R,4S,5S,6R)-2-[[(1S,4S,4aS,7S,8aS)-4-hydroxy-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
418.50
|
0
|
6
|
8
|
139.84
|
4
|
|
|
m-Cymene
|
134.22
|
4
|
0
|
0
|
0
|
1
|
|
|
Derrisisoflavone B
|
422.50
|
5.5
|
4
|
6
|
111.13
|
6
|
|
|
[3-(1-hydroxy-3,4-dioxonaphthalen-2-yl)-2,2-dimethylpropyl] (E)-2-methyl-6-methylidene-7-oxooct-2-enoate
|
424.50
|
3.9
|
1
|
6
|
97.74
|
10
|
|
|
(+)-Tephrorin A
|
426.50
|
2.6
|
1
|
7
|
91.29
|
5
|
|
|
(3R,3aR,5aR,5bR,9R,11bR,13aS,13bR)-3a,5a,8,8,11b,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,9,10,11,12,13,13b-tetradecahydrocyclopenta[a]chrysen-9-ol
|
426.70
|
8.9
|
1
|
1
|
20.23
|
1
|
|
|
Lacinilene C 7-methyl ether
|
260.33
|
2.5
|
1
|
3
|
46.53
|
2
|
|
|
(-)-Kurarinone
|
438.50
|
5.6
|
3
|
6
|
96.22
|
7
|
|
|
Crimidine
|
171.63
|
2
|
0
|
3
|
29.02
|
1
|
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