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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Timosaponin A-III
|
740.90
|
3.3
|
7
|
13
|
196.99
|
6
|
|
|
Cryptostrobin
|
270.28
|
3.1
|
2
|
4
|
66.76
|
1
|
|
|
4-[2-[(1R,4aS,5R,6R,8aR)-6-hydroxy-5,8a-dimethyl-2-methylidene-5-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one
|
496.60
|
1.3
|
5
|
9
|
145.91
|
7
|
|
|
Bisoxireno(1,10a:3,4)phenanthro(3,2-b)furan-9-ol, 1,2,3,4,4a,5,6,7a,9,11a,11b,11c-dodecahydro-4,4,8,11c-tetramethyl-
|
332.40
|
2.2
|
1
|
4
|
54.52
|
0
|
|
|
Cycleaneonine
|
622.70
|
6.3
|
1
|
8
|
72.86
|
3
|
|
|
[(11S,12R,13S,14R,37R,38S,39S,56R)-11,37-diformyl-4,5,6,14,20,21,22,25,26,30,31,32,44,45,46,49,50,56-octadecahydroxy-9,17,35,41,53,59-hexaoxo-38-(3,4,5-trihydroxybenzoyl)oxy-2,10,16,28,36,40,54,60-octaoxanonacyclo[37.11.6.413,27.03,8.018,23.029,34.042,47.048,52.024,58]hexaconta-1(50),3,5,7,18,20,22,24,26,29,31,33,42,44,46,48,51,57-octadecaen-12-yl] 3,4,5-trihydroxybenzoate
|
1569.10
|
1.8
|
24
|
44
|
748.52
|
8
|
|
|
Ghalakinoside
|
566.60
|
-2
|
6
|
11
|
175.37
|
3
|
|
|
Methyl 3,4,5-trimethoxybenzoate
|
226.23
|
1.7
|
0
|
5
|
53.99
|
5
|
|
|
[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3S,4S,5R,6S)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
943.10
|
2.5
|
11
|
18
|
294.98
|
10
|
|
|
Isomallotochromanol
|
460.50
|
3.2
|
5
|
9
|
153.75
|
5
|
|
|
1,5-Dihydroxy-6-methoxy-9H-xanthen-9-one
|
258.23
|
2.8
|
2
|
5
|
79.9
|
1
|
|
|
[(5aR,7S,9aS,9bR)-6,6,9a-trimethyl-3-oxo-5,5a,7,8,9,9b-hexahydro-1H-benzo[e]isobenzofuran-7-yl] acetate
|
292.40
|
3.1
|
0
|
4
|
52.6
|
2
|
|
|
Incanumine
|
986.10
|
-0.9
|
11
|
20
|
297.4
|
9
|
|
|
(1R,2R,5S,8R,14R,15S,16R,18R)-15-formyl-16-hydroxy-1,2,14,17,17-pentamethyl-8-prop-1-en-2-ylpentacyclo[11.7.0.02,10.05,9.014,18]icosane-5-carboxylic acid
|
470.70
|
7.5
|
2
|
4
|
74.6
|
3
|
|
|
6-[2-[(2R,3R,6R)-2,3,6-trimethyl-4-oxo-cyclohexyl]ethyl]naphthalene-1,4-dione
|
324.40
|
4.1
|
0
|
3
|
51.21
|
3
|
|
|
[(2R,3S,4S,5R,6R)-6-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(1R,4R)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl heptadecanoate
|
829.30
|
15.6
|
3
|
7
|
105.45
|
26
|
|
|
5,7-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-3-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexoxy]chromen-4-one
|
476.40
|
1.3
|
7
|
11
|
190.28
|
5
|
|
|
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexoxy]chromen-4-one
|
462.40
|
1
|
8
|
11
|
201.28
|
4
|
|
|
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one
|
564.50
|
-2.2
|
10
|
14
|
250.97
|
4
|
|
|
[(10R,11S)-10-[(14R,15R,19S)-2,3,4,7,8,9,19-heptahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl]-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-11-yl] 3,4,5-trihydroxybenzoate
|
936.60
|
1.2
|
16
|
26
|
455.18
|
4
|
|
|
Vindolicine
|
925.10
|
4.7
|
2
|
16
|
177.08
|
14
|
|
|
(2S,3R,4S,4aR,6aR,6bR,8aS,12aS,14aR,14bR)-8a-[(2S,3S,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2R,3S,4R,5R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-5-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]oxy-4-hydroxy-6-methyloxan-2-yl]oxycarbonyl-2-hydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-3-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
|
1457.60
|
-0.7
|
16
|
32
|
494.88
|
21
|
|
|
(1R,2S,5R,9S,12R,16R)-5-ethenyl-1,5,12-trimethyl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadec-7-ene-11,13-dione
|
314.40
|
3.8
|
0
|
3
|
43.37
|
1
|
|
|
(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[[(1S,4S,5S,8R,9R,12R,13S,16S)-8-[(E,2R)-6-methoxy-6-methylhept-4-en-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-yl]oxy]oxane-3,4,5-triol
|
632.90
|
5.1
|
4
|
8
|
117.84
|
8
|
|
|
Ungeremine
|
266.27
|
3
|
1
|
3
|
42.57
|
0
|
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