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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Taxillusin
|
618.50
|
0.5
|
10
|
16
|
273.36
|
7
|
|
|
5,7-Dihydroxy-2-[3-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
|
462.40
|
0.8
|
6
|
11
|
179.28
|
5
|
|
|
5,7-dihydroxy-2-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
|
462.40
|
0.8
|
6
|
11
|
179.28
|
5
|
|
|
3a-(hydroxymethyl)-6,8a,8b-trimethyl-3,4a,7,8-tetrahydro-1H-cyclopenta[b][1]benzofuran-2-one
|
250.33
|
0.8
|
1
|
3
|
46.53
|
1
|
|
|
Capsicoside C3
|
871.00
|
0.4
|
9
|
17
|
255.91
|
8
|
|
|
Capsicoside C2
|
873.00
|
1.2
|
9
|
17
|
255.91
|
8
|
|
|
2-[4,5-Dihydroxy-2-(hydroxymethyl)-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl)oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
738.90
|
1.9
|
7
|
13
|
196.99
|
6
|
|
|
Bisosthenon B
|
488.50
|
2.8
|
0
|
8
|
113.02
|
6
|
|
|
8-[(1S,2R,3S,4R)-2,3-diacetyl-4-(7-methoxy-2-oxochromen-8-yl)cyclobutyl]-7-methoxychromen-2-one
|
488.50
|
2.8
|
0
|
8
|
113.02
|
6
|
|
|
(all-E)-1,7,9-Heptadecatriene-11,13,15-triyne
|
222.32
|
5.6
|
0
|
0
|
0
|
8
|
|
|
Semi-beta-carotenone
|
568.90
|
11.8
|
0
|
2
|
34.14
|
15
|
|
|
[(1R,19R,21S,22R,23R)-6,7,8,11,12,13,22-heptahydroxy-3,16-dioxo-21-(3,4,5-trihydroxybenzoyl)oxy-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaen-23-yl] 3,4,5-trihydroxybenzoate
|
786.60
|
1.2
|
13
|
22
|
377.42
|
6
|
|
|
[(1S)-1-[(3S,8S,9R,10R,12R,13R,14R,17S)-3,8,12,14,17-pentahydroxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl]ethyl] (E)-3-phenylprop-2-enoate
|
512.60
|
2.3
|
5
|
7
|
127.45
|
5
|
|
|
(E,1R)-1-[(2R,4S,5S)-4-bromo-5-[[(2R,3R)-3-ethyloxiran-2-yl]methyl]oxolan-2-yl]hex-3-en-5-yn-1-ol
|
329.23
|
2.8
|
1
|
3
|
41.99
|
6
|
|
|
(2R,3S,5R)-3-bromo-5-[(1S)-1-bromo-2-[(2R,3S)-3-[(E)-pent-2-en-4-ynyl]oxiran-2-yl]ethyl]-2-ethyloxolane
|
392.13
|
4.2
|
0
|
2
|
21.76
|
6
|
|
|
cis-Miyabenol C
|
680.70
|
7.7
|
7
|
9
|
160.07
|
6
|
|
|
(4E,6E,12E)-tetradeca-4,6,12-trien-8,10-diyn-1-ol
|
200.28
|
3.3
|
1
|
1
|
20.23
|
5
|
|
|
[(4E,6E,12E)-tetradeca-4,6,12-trien-8,10-diynyl] acetate
|
242.31
|
3.9
|
0
|
2
|
26.3
|
7
|
|
|
(S)-2,3-Dihydro-5-hydroxy-2-methyl-1,4-naphthoquinone
|
190.19
|
1.9
|
1
|
3
|
54.37
|
0
|
|
|
2-(3,4-Dihydroxyphenyl)-5-hydroxy-6-methoxy-3,7-bis[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]chromen-4-one
|
624.50
|
-0.5
|
9
|
16
|
258.43
|
6
|
|
|
[2-[2-(3,4-Dihydroxyphenyl)-5-hydroxy-6-methoxy-4-oxo-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-7-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] acetate
|
666.60
|
0.1
|
8
|
17
|
264.5
|
8
|
|
|
2,3,7-trimethoxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one
|
464.40
|
0.7
|
4
|
11
|
157.28
|
6
|
|
|
2,3,5-trimethoxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one
|
464.40
|
0.7
|
4
|
11
|
157.28
|
6
|
|
|
gerontoxanthone G
|
396.40
|
5.7
|
3
|
6
|
100.13
|
2
|
|
|
gerontoxanthone I
|
396.40
|
6
|
4
|
6
|
111.13
|
4
|
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