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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Emetan-6'-ol, 7',10,11-trimethoxy-, (1'beta)-
|
466.60
|
4.4
|
2
|
6
|
63.19
|
6
|
|
|
(6R,7S)-3-(acetyloxymethyl)-7-[[(5R)-5-amino-5-carboxypentanoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
|
415.40
|
-4.4
|
4
|
10
|
201.63
|
10
|
|
|
Cepharamine
|
329.40
|
2
|
1
|
5
|
59
|
2
|
|
|
3beta,5alpha,6beta-Trihydroxy-7,22-ergostadiene
|
430.70
|
5.6
|
3
|
3
|
60.69
|
4
|
|
|
(2S,4R,4aS,6aS,6aS,6bR,8aR,12aR,14aS,14bS)-2-hydroxy-4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one
|
442.70
|
9.2
|
1
|
2
|
37.3
|
0
|
|
|
Phyllocladan-16alpha-ol
|
290.50
|
5.9
|
1
|
1
|
20.23
|
0
|
|
|
beta1-Chaconine
|
705.90
|
3.4
|
6
|
11
|
161.54
|
5
|
|
|
beta-2-Chaconine
|
705.90
|
2.8
|
6
|
11
|
161.54
|
5
|
|
|
beta-D-Glucopyranoside, (3beta)-solanid-5-en-3-yl
|
559.80
|
4.5
|
4
|
7
|
102.62
|
3
|
|
|
5-Hydroxy-6-[4-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)phenoxy]-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
|
566.50
|
5.9
|
3
|
10
|
148.8
|
6
|
|
|
(+)-beta-Chamigrene
|
204.35
|
4.7
|
0
|
0
|
0
|
0
|
|
|
(3E,5E,7E)-trideca-3,5,7-trien-9,11-diyn-1-ol
|
186.25
|
3
|
1
|
1
|
20.23
|
5
|
|
|
Chandalone
|
404.50
|
5.9
|
2
|
5
|
79.9
|
3
|
|
|
[8-Acetyloxy-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
|
613.70
|
2.2
|
1
|
10
|
112.99
|
11
|
|
|
2-Cyclopentene-1-tridecanoic acid
|
280.40
|
7
|
1
|
2
|
37.3
|
13
|
|
|
(+)-Chebulic acid
|
356.24
|
-0.8
|
6
|
11
|
198.89
|
5
|
|
|
Cheiroside A
|
682.80
|
0.5
|
7
|
13
|
204.83
|
6
|
|
|
6-{[4,4,6A,6B,11,11,14B-Heptamethyl-8A-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-YL]oxy}carbonyl)-1,2,3,4A,5,6,7,8,9,10,12,12A,14,14A-tetradecahydropicen-3-YL]oxy}-3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-YL]oxy}oxane-2-carboxylic acid
|
957.10
|
2.7
|
11
|
19
|
312.05
|
10
|
|
|
(1S,2R,4Ar,6aR,6aS,6bR,8aS,12aS,14bR)-1,2,4a,6a,6b,9,9,12a-octamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene
|
410.70
|
10.5
|
0
|
0
|
0
|
0
|
|
|
alpha-d-Mannosamine
|
179.17
|
-2.8
|
5
|
6
|
116.17
|
1
|
|
|
Chlorogenin
|
432.60
|
5.1
|
2
|
4
|
58.92
|
0
|
|
|
Neochlorogenin
|
432.60
|
5.1
|
2
|
4
|
58.92
|
0
|
|
|
6-epi-Ophiobolin A
|
400.50
|
3.5
|
1
|
4
|
63.6
|
2
|
|
|
Ophiobolin B
|
402.60
|
3.6
|
2
|
4
|
74.6
|
5
|
|
|
Cyanidin 3-O-beta-D-glucoside
|
449.40
|
|
8
|
10
|
191.6
|
4
|
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