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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
2-O-[(3r,9r)-3-(acetyloxy)-9-hydroxy-eicosanoyl]-glycerol
|
460.60
|
5.6
|
3
|
7
|
113.29
|
24
|
|
|
2-O-[(3r,6s)-3,6-dihydroxy-eicosanoyl]-glycerol
|
418.60
|
5.4
|
4
|
6
|
107.22
|
22
|
|
|
Dimethyl hexasulfide
|
222.50
|
2.7
|
0
|
6
|
151.8
|
5
|
|
|
[(4R,4aS,6R,7S,7aR)-2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl] (2E,6E)-8-hydroxy-2,6-dimethylocta-2,6-dienoate
|
349.50
|
4
|
1
|
4
|
49.77
|
7
|
|
|
(2R,2'R,3S,3'R)-2,2'-bis(3,4-dihydroxyphenyl)-3',4,5',6-tetrahydroxyspiro[2H-1-benzofuran-3,9'-3,4-dihydro-2H-furo[2,3-h]chromene]-8'-one
|
574.50
|
2.6
|
8
|
12
|
206.6
|
2
|
|
|
4-[(3S,3aR,6S,6aR)-6-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]benzene-1,2-diol
|
344.40
|
2
|
3
|
6
|
88.38
|
3
|
|
|
(2S)-4-[(13R)-13-hydroxy-13-[(2R,5S)-5-[(1S)-1-hydroxypentadecyl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
|
592.90
|
12.9
|
2
|
5
|
75.99
|
28
|
|
|
3-Hydroxytanshinone IIB
|
326.30
|
2.3
|
2
|
5
|
87.74
|
1
|
|
|
3-Hydroxycyptotanshinone
|
312.40
|
2.5
|
1
|
4
|
63.6
|
0
|
|
|
(6S)-6-hydroxy-1,6-dimethyl-2,7,8,9-tetrahydro-1H-naphtho[1,2-g][1]benzofuran-10,11-dione
|
298.30
|
1.6
|
1
|
4
|
63.6
|
0
|
|
|
8-Methyl-3,4-dioxo-2-propan-2-ylphenanthrene-1-carboxylic acid
|
308.30
|
3.5
|
1
|
4
|
71.44
|
2
|
|
|
methyl (6S)-1,6-dimethyl-10,11-dioxo-2,7,8,9-tetrahydro-1H-naphtho[1,2-g][1]benzofuran-6-carboxylate
|
340.40
|
2.7
|
0
|
5
|
69.67
|
2
|
|
|
Monodydroxytanshinone I
|
292.30
|
3.3
|
1
|
4
|
67.51
|
0
|
|
|
(6S)-6-hydroxy-1-(hydroxymethyl)-6-methyl-2,7,8,9-tetrahydro-1H-naphtho[1,2-g][1]benzofuran-10,11-dione
|
314.30
|
0.4
|
2
|
5
|
83.83
|
1
|
|
|
(1S,13S,15R,18R)-15,18-dimethoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraene
|
315.40
|
1.8
|
0
|
5
|
40.16
|
2
|
|
|
Gal(a1-2)Glc(b1-2b)Fruf
|
504.40
|
-5.3
|
11
|
16
|
268.68
|
8
|
|
|
1,7-Diphenyl-3,5-heptanedione
|
280.40
|
3.6
|
0
|
2
|
34.14
|
8
|
|
|
(2R,3R,4S,5S,6R)-2-[[(3S,4aR,6aR,6aR,6bR,8aR,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
588.90
|
7.5
|
4
|
6
|
99.38
|
3
|
|
|
8-Hydroxy-7-(2-hydroxypropan-2-yl)-2,11,11-trimethyl-10-oxatricyclo[7.5.1.05,15]pentadeca-1,3,5,7,9(15)-pentaen-14-one
|
328.40
|
3.9
|
2
|
4
|
66.76
|
1
|
|
|
(4aS)-5,6-dihydroxy-7-(2-hydroxypropan-2-yl)-1,1,4a-trimethyl-3,4-dihydro-2H-phenanthren-9-one
|
330.40
|
4.2
|
3
|
4
|
77.76
|
1
|
|
|
(3S,4aR,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-11-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-3,10-bis[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
829.00
|
0.8
|
11
|
16
|
276.52
|
8
|
|
|
(3S,4aR,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
813.00
|
2
|
10
|
15
|
256.29
|
7
|
|
|
[(1S,2R,3R,4S,5R,6S,8R,9R,10R,13R,14R,16S,17S,18R)-8-ethoxy-11-ethyl-14-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate
|
629.80
|
2.6
|
1
|
10
|
105.15
|
12
|
|
|
(2S,3R,4S,5S,6R)-2-[3-hydroxy-2-[[2-hydroxy-4-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]-5-methylphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
584.60
|
-0.5
|
10
|
14
|
239.22
|
8
|
|
|
(2S,3R,4S,5S,6R)-2-[3-hydroxy-4-[[4-hydroxy-2-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]-5-methylphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
584.60
|
-0.5
|
10
|
14
|
239.22
|
8
|
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