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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
12-Dehydroxyghalakinoside
|
550.60
|
0
|
5
|
10
|
155.14
|
3
|
|
|
Gelsebanine
|
504.60
|
2.4
|
1
|
6
|
79.31
|
4
|
|
|
Gelsebamine
|
255.35
|
1.5
|
1
|
4
|
49.77
|
5
|
|
|
4-Hydroxy-3,5-dimethoxy-2-naphthaldehyde
|
232.23
|
2.2
|
1
|
4
|
55.76
|
3
|
|
|
(1R,2S,5S,7S,8S,10S,13S)-10-(furan-3-yl)-8-(hydroxymethyl)-4,11,14-trioxapentacyclo[11.2.2.12,5.01,7.08,13]octadecane-3,12,15-trione
|
388.40
|
0.5
|
1
|
8
|
112.27
|
2
|
|
|
(2S,3R,4S,5S,6R)-2-[(3R,6E,10S)-3,10-dihydroxy-2,6,10-trimethyldodeca-6,11-dien-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
418.50
|
0.7
|
6
|
8
|
139.84
|
11
|
|
|
(2S,3R,4S,5S,6R)-2-[(3R,6E,10S)-2,10-dihydroxy-2,6,10-trimethyldodeca-6,11-dien-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
418.50
|
0.7
|
6
|
8
|
139.84
|
11
|
|
|
1-[2,4-Dihydroxy-6-methoxy-3-(3-methyl-2-buten-1-yl)phenyl]-3-(4-hydroxyphenyl)-2-propen-1-one
|
354.40
|
5.1
|
3
|
5
|
86.99
|
6
|
|
|
D-Xylose, 4-O-beta-D-xylopyranosyl-
|
282.24
|
-4.3
|
6
|
9
|
156.91
|
6
|
|
|
3-[(3S,5R,8R,9S,10R,13R,17R)-14-hydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
|
536.70
|
0.9
|
5
|
9
|
145.91
|
4
|
|
|
Asimilobine
|
267.32
|
2.6
|
2
|
3
|
41.49
|
1
|
|
|
Epiberberine
|
336.40
|
3.6
|
0
|
4
|
40.8
|
2
|
|
|
Salicifoline
|
210.29
|
1.2
|
1
|
2
|
29.46
|
4
|
|
|
[(2S,3S,4S,5S)-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5-hydroxy-10-[(2R,3R,4R,5R,6R)-3-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-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
|
1353.50
|
-2.3
|
17
|
30
|
471.74
|
15
|
|
|
Nubenolide
|
260.28
|
-0.1
|
1
|
4
|
63.6
|
0
|
|
|
(3aS,4R,8aS,9R)-4-[(3aR,4S,8aR,9S)-9-hydroxy-1,5,8-trimethyl-2,6-dioxo-3a,4,8a,9-tetrahydroazuleno[6,5-b]furan-4-yl]-9-hydroxy-1,5,8-trimethyl-3a,4,8a,9-tetrahydroazuleno[6,5-b]furan-2,6-dione
|
518.60
|
-0.9
|
2
|
8
|
127.2
|
1
|
|
|
Nubenolide acetate
|
302.32
|
0.4
|
0
|
5
|
69.67
|
2
|
|
|
Puerariafuran
|
284.26
|
2.7
|
2
|
5
|
79.9
|
3
|
|
|
Cimigenol xyloside
|
620.80
|
3.7
|
5
|
9
|
138.07
|
3
|
|
|
1-O-Formylrocagloic acid
|
506.50
|
2.9
|
2
|
9
|
120.75
|
8
|
|
|
(1R,2R,3S,3aR,8bS)-1,8b-dihydroxy-3a-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylic acid
|
494.50
|
2.5
|
4
|
9
|
134.91
|
6
|
|
|
1D-myo-inositol 5-phosphate
|
260.14
|
-4.8
|
7
|
9
|
177.72
|
2
|
|
|
Cotarninium
|
220.24
|
1
|
0
|
3
|
30.7
|
1
|
|
|
CID 16090911
|
402.50
|
2.5
|
3
|
6
|
104.06
|
2
|
|
|
(1R,3S,6R,7R,8S,10R,11R,12R,13R,16S,17R)-8-tert-butyl-6,12,17-trihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione
|
424.40
|
-0.4
|
3
|
10
|
148.82
|
1
|
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