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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Solanigroside F
|
1213.30
|
-2.9
|
16
|
28
|
434.44
|
14
|
|
|
Solanigroside H
|
1047.20
|
-1.5
|
12
|
22
|
335.06
|
10
|
|
|
(1R,4R,5R,8R,10S,13R,14R,17R,18S,19S,20S,22S)-22-methoxy-4,5,9,9,13,19,20-heptamethyl-21-oxahexacyclo[18.2.2.01,18.04,17.05,14.08,13]tetracosan-10-ol
|
472.70
|
7.9
|
1
|
3
|
38.69
|
1
|
|
|
(1R,4R,5R,8R,10S,13R,14R,17R,18S,19S,20S)-4,5,9,9,13,19,20-heptamethyl-21-oxahexacyclo[18.2.2.01,18.04,17.05,14.08,13]tetracos-23-en-10-ol
|
440.70
|
7.8
|
1
|
2
|
29.46
|
0
|
|
|
(3S,7S,8R,9S,10S,13R,14S,17R)-17-[(E,2R)-6-methoxy-6-methylhept-4-en-2-yl]-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
|
472.70
|
6.8
|
2
|
3
|
49.69
|
5
|
|
|
(3S,7S,8R,9S,10S,13R,14S,17R)-4,4,9,13,14-pentamethyl-17-[(2R,4E)-6-methylhepta-4,6-dien-2-yl]-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
|
440.70
|
8
|
2
|
2
|
40.46
|
4
|
|
|
(8R,9S,10S,13R,14S,17R)-4,4,9,13,14-pentamethyl-17-[(2R,4E)-6-methylhepta-4,6-dien-2-yl]-2,8,10,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,7-dione
|
436.70
|
7.7
|
0
|
2
|
34.14
|
4
|
|
|
(8R,9S,10S,13R,14S,17R)-17-[(E,2R)-6-hydroxy-6-methylhept-4-en-2-yl]-4,4,9,13,14-pentamethyl-2,8,10,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,7-dione
|
454.70
|
6
|
1
|
3
|
54.37
|
4
|
|
|
[(2S,3R,4R)-4-hydroxy-2-[(1S)-1-hydroxy-2-methoxy-2-oxoethyl]-5-oxooxolan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
382.30
|
0.3
|
3
|
10
|
148.82
|
8
|
|
|
Cespitularin I
|
314.40
|
3.2
|
1
|
3
|
54.37
|
0
|
|
|
Cespitularin J
|
358.50
|
2.8
|
1
|
4
|
63.6
|
2
|
|
|
Cespitularin K
|
356.50
|
3.7
|
0
|
4
|
60.44
|
2
|
|
|
Cespitularin L
|
332.40
|
1.6
|
2
|
4
|
70.06
|
0
|
|
|
Cespitularin M
|
322.40
|
1.7
|
3
|
4
|
77.76
|
0
|
|
|
Cespitularin N
|
322.40
|
1.7
|
3
|
4
|
77.76
|
0
|
|
|
Cespitularin O
|
316.40
|
3.3
|
1
|
3
|
46.53
|
0
|
|
|
cespitulactone B
|
346.50
|
3
|
1
|
4
|
55.76
|
1
|
|
|
cespitulactone A
|
320.40
|
2.7
|
1
|
4
|
63.6
|
0
|
|
|
Cespitolide
|
316.40
|
3.8
|
0
|
3
|
38.83
|
2
|
|
|
(1aR,3S,4aS,7S,8aS)-7-hydroxy-3-[(1S,2R,3R)-2-(2-hydroxyethyl)-2-methyl-3-[(2R)-6-methylheptan-2-yl]cyclopentyl]-4a-methyl-2,3,5,6,7,8-hexahydro-1aH-naphtho[4,4a-b]oxiren-4-one
|
434.70
|
5.7
|
2
|
4
|
70.06
|
8
|
|
|
(1aR,3S,4aS,7S,8aS)-7-hydroxy-3-[(1S,2R,3R)-2-(2-hydroxyethyl)-2-methyl-3-[(1S)-1-[(1R,2R)-2-methyl-2-[(2R)-3-methylbutan-2-yl]cyclopropyl]ethyl]cyclopentyl]-4a-methyl-2,3,5,6,7,8-hexahydro-1aH-naphtho[4,4a-b]oxiren-4-one
|
474.70
|
6.1
|
2
|
4
|
70.06
|
7
|
|
|
Carneic acid A
|
330.50
|
4.2
|
2
|
3
|
57.53
|
4
|
|
|
Carneic acid B
|
346.50
|
2.9
|
3
|
4
|
77.76
|
5
|
|
|
(3R,3aR,11bR)-3a,6-dimethyl-3-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,7,8,11b-octahydrocyclopenta[a]anthracene
|
364.60
|
9.5
|
0
|
0
|
0
|
5
|
|
|
Jaboticabin
|
334.28
|
1.7
|
4
|
8
|
133.52
|
6
|
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