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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,15R,16R,18S)-15-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
740.90
|
2.8
|
7
|
13
|
196.99
|
5
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aS,9R,10R,12aS,14aR,14bR)-8-acetyloxy-8a-(acetyloxymethyl)-4-formyl-9-hydroxy-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
1273.40
|
-0.4
|
12
|
28
|
429.64
|
19
|
|
|
Benzofuran-4-ol
|
134.13
|
2
|
1
|
2
|
33.37
|
0
|
|
|
2-[(1R,2R,3R)-3-hydroxy-1,2,3-trimethylcyclopentyl]-5-methylphenol
|
234.33
|
3.4
|
2
|
2
|
40.46
|
1
|
|
|
Eunicea sesquiterpenoid 3
|
250.33
|
1.9
|
1
|
3
|
46.53
|
0
|
|
|
Performone B
|
290.31
|
3
|
2
|
5
|
79.9
|
4
|
|
|
Bauhiniastatin 2
|
300.30
|
3.5
|
2
|
5
|
68.15
|
2
|
|
|
5,7-Dihydroxy-6,8-dimethoxyflavone
|
314.29
|
3
|
2
|
6
|
89.13
|
3
|
|
|
(4aS,10aS)-6,7-dihydroxy-1,1,4a-trimethyl-5-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
|
316.40
|
5.3
|
2
|
3
|
57.53
|
1
|
|
|
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-[(1R)-2-(hydroxymethyl)-3-methylcyclopent-2-en-1-yl]ethoxy]oxane-3,4,5-triol
|
318.36
|
-1.6
|
5
|
7
|
119.61
|
6
|
|
|
4',7-Dihydroxy-8-prenylflavanone
|
324.40
|
4.1
|
2
|
4
|
66.76
|
3
|
|
|
Glycyrrhizol B
|
350.40
|
4.1
|
1
|
5
|
61.06
|
1
|
|
|
1-Heptene
|
98.19
|
4
|
0
|
0
|
0
|
4
|
|
|
5-(2-Methylpropanoyl)-phloroglucinol-glucopyranoside
|
358.34
|
0.1
|
6
|
9
|
156.91
|
5
|
|
|
(2S,3R,4S,5S,6R)-2-[[(1S,4aR,6R,7S,7aS)-6,7-dihydroxy-7-(hydroxymethyl)-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
364.34
|
-2.7
|
7
|
10
|
169.3
|
4
|
|
|
2-Heptene
|
98.19
|
3.2
|
0
|
0
|
0
|
3
|
|
|
(3S,6aR,6bR,8aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,9,10,13,14,14a-tetradecahydropicen-3-ol
|
426.70
|
9.4
|
1
|
1
|
20.23
|
0
|
|
|
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-3-(2,3,4,5,6-pentadeuteriophenyl)-N-sulfooxypropanimidothioate
|
428.50
|
0.1
|
5
|
11
|
199.79
|
8
|
|
|
Butyl isothiocyanate
|
115.20
|
2.9
|
0
|
2
|
44.45
|
3
|
|
|
Schisandrene
|
502.50
|
5.6
|
0
|
8
|
81.68
|
5
|
|
|
CID 11613161
|
510.50
|
0.8
|
1
|
9
|
125.43
|
0
|
|
|
Rel-annotemoyin-1
|
564.90
|
11.8
|
2
|
5
|
75.99
|
26
|
|
|
2,3-Dihydroamentoflavone 7,4'-dimethyl ether
|
568.50
|
5.4
|
4
|
10
|
155.89
|
5
|
|
|
Butyl formate
|
102.13
|
1.4
|
0
|
2
|
26.3
|
4
|
|
|
(1R,2S,3S,9S,10S,17S)-2-(3,5-dihydroxyphenyl)-3,9,17-tris(4-hydroxyphenyl)-8-oxapentacyclo[8.7.2.04,18.07,19.011,16]nonadeca-4(18),5,7(19),11(16),12,14-hexaene-5,13,15-triol
|
680.70
|
6.8
|
8
|
9
|
171.07
|
4
|
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