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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(5S,6S)-6-(3,4-dihydroxyphenyl)-5-(3,5-dihydroxyphenyl)-3-[(E)-2-(4-hydroxyphenyl)ethenyl]cyclohept-2-en-1-one
|
444.50
|
4.1
|
5
|
6
|
118.22
|
4
|
|
|
Sacranoside B
|
448.50
|
-0.8
|
6
|
10
|
158.3
|
9
|
|
|
(Z,6S)-2-methyl-6-[(5R,10S,13S,14S,17S)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]hept-2-enoic acid
|
454.70
|
7.3
|
1
|
3
|
54.37
|
5
|
|
|
1-[(3R,5R,10R,13S,17S)-17-[1-(dimethylamino)ethyl]-10,13-dimethyl-4-oxo-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]-3-propan-2-ylazetidin-2-one
|
456.70
|
6.1
|
0
|
3
|
40.62
|
4
|
|
|
1,3,5,6-Tetrahydroxy-4,7,8-tri(3-methyl-2-butenyl)xanthone
|
464.50
|
7.9
|
4
|
6
|
111.13
|
6
|
|
|
Silyhermin
|
466.40
|
2.6
|
5
|
9
|
145.91
|
4
|
|
|
(2Z)-2-[(2R,3S,4S)-4-Hydroxy-2-(3-hydroxypropyl)-3,4-dimethyl-3-[(3E,5E)-4-methyl-6-[(1R,3S)-2,2,3-trimethyl-6-methylenecyclohexyl]-3,5-hexadien-1-yl]cyclohexylidene]propanal
|
470.70
|
6.5
|
2
|
3
|
57.53
|
9
|
|
|
Diphenylacetylene
|
178.23
|
4.8
|
0
|
0
|
0
|
2
|
|
|
[(2S,6R,7R,9R,11S,12R,14S)-11-acetyloxy-9-(chloromethyl)-9-hydroxy-14-methyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradecan-7-yl] (E)-4-hydroxy-2-methylbut-2-enoate
|
470.90
|
0.6
|
2
|
9
|
131.89
|
7
|
|
|
Isorhamnetin 3,7-di-O-sulfate
|
476.40
|
1.3
|
4
|
13
|
223.86
|
6
|
|
|
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
478.40
|
0.7
|
7
|
12
|
199.51
|
5
|
|
|
Isolindleyin
|
478.40
|
0.8
|
6
|
11
|
183.21
|
9
|
|
|
Lethedoside A
|
490.50
|
0.9
|
4
|
11
|
157.28
|
7
|
|
|
Tenuiorin
|
496.50
|
6.2
|
3
|
10
|
148.82
|
9
|
|
|
Demethylzeylasterone
|
496.60
|
6.3
|
4
|
7
|
132.13
|
2
|
|
|
sideroxylonal A
|
500.50
|
5
|
5
|
10
|
178.66
|
8
|
|
|
[(3R,4R,10R,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-3-[methyl(3-methylbut-2-enoyl)amino]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-4-yl] acetate
|
500.80
|
6.9
|
0
|
4
|
49.85
|
6
|
|
|
Littoralisone
|
504.50
|
0.2
|
4
|
11
|
161.21
|
2
|
|
|
(1R,2S,3R,6R,8R,13S,14R,15R,16S,17R)-10,15,16-trihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylic acid
|
506.50
|
0.6
|
4
|
11
|
176.89
|
4
|
|
|
Aviculin
|
506.50
|
1
|
6
|
10
|
158.3
|
7
|
|
|
[(9Z)-heptadeca-1,9-dien-4,6-diyn-3-yl] (9Z,12Z)-octadeca-9,12-dienoate
|
506.80
|
12.9
|
0
|
2
|
26.3
|
25
|
|
|
(3S,4S)-7-hydroxy-3-[(3S,4S)-7-hydroxy-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydrochromen-3-yl]-4-(4-hydroxyphenyl)-3,4-dihydrochromen-2-one
|
510.50
|
4.6
|
4
|
8
|
133.52
|
3
|
|
|
Tuberculatin
|
512.50
|
2.2
|
3
|
11
|
142.37
|
6
|
|
|
[(1R,3S,3aS,5R,6aR,7S,8S,10R,10aR)-1,3-diacetyloxy-10-hydroxy-7,8-dimethyl-7-[(2E)-3-methylpenta-2,4-dienyl]-1,3,3a,4,5,6,6a,8,9,10-decahydrobenzo[d][2]benzofuran-5-yl] (E)-2-methylbut-2-enoate
|
518.60
|
5.6
|
1
|
8
|
108.36
|
10
|
|
|
Methyl (4S,5Z,6S)-5-ethylidene-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
|
524.50
|
-0.1
|
5
|
12
|
181.44
|
11
|
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