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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Borneol lactate
|
226.31
|
3
|
1
|
3
|
46.53
|
3
|
|
|
Euphorbia factor L8
|
523.60
|
4.5
|
0
|
8
|
108.86
|
7
|
|
|
Kalmvcdxdqybpa-wqxojwcksa-
|
532.70
|
5.8
|
4
|
7
|
124.29
|
8
|
|
|
(1S,4aS,6S,7R,7aS)-1-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxy-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
|
536.50
|
0.9
|
5
|
12
|
181.44
|
9
|
|
|
(1R,5S,13S,21R)-9,19-dimethoxy-18-methyl-5,13-diphenyl-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2,8,10,15(20),16,18-hexaene-17,21-diol
|
538.60
|
5.8
|
2
|
7
|
86.61
|
4
|
|
|
methyl (1R,2R,3S,3aR,8bS)-1-acetyloxy-3a-(1,3-benzodioxol-5-yl)-8b-hydroxy-6,8-dimethoxy-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate
|
548.50
|
3.1
|
1
|
10
|
118.98
|
8
|
|
|
2,4,6-Trimethylphenol
|
136.19
|
2.7
|
1
|
1
|
20.23
|
0
|
|
|
taxinine NN-7
|
564.70
|
3.9
|
1
|
8
|
116.2
|
8
|
|
|
(4S,4aS,5R,6R,6aS,7R,11aS,11bR)-5,6-dibenzoyloxy-4a-hydroxy-4,7,11b-trimethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-4-carboxylic acid
|
572.60
|
6.5
|
2
|
8
|
123.27
|
7
|
|
|
(1R,6S,7S,13S,21R)-7,13-bis(3,4-dihydroxyphenyl)-8,12,14-trioxapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-2(11),3,9,15,17,19-hexaene-3,6,17,19,21-pentol
|
576.50
|
1.3
|
9
|
12
|
209.76
|
2
|
|
|
(3S,5S,8R,9S,10S,12R,13S,14S,17R)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy-5,12,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
|
580.70
|
-1.3
|
5
|
11
|
172.21
|
5
|
|
|
[(3R,8S,9S,10R,13S,14S,17S)-17-[(1R)-1-[(2R,4R,5S)-5,6-dihydroxy-4-methoxy-4,5-dimethyloxan-2-yl]ethyl]-17-hydroxy-10,13-dimethyl-1-oxo-3,4,7,8,9,11,12,14,15,16-decahydro-2H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
|
586.70
|
1.5
|
4
|
10
|
168.2
|
5
|
|
|
(3S,4S,4aS,5R,6R,6aS,7R,11aS,11bR)-5,6-dibenzoyloxy-3,4a-dihydroxy-4,7,11b-trimethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-4-carboxylic acid
|
588.60
|
5.9
|
3
|
9
|
143.5
|
7
|
|
|
[(2S,3R,4S,5R,6R)-3,5-dihydroxy-2-[2-hydroxy-5-(5-hydroxy-7-methoxy-4-oxochromen-3-yl)phenoxy]-6-(hydroxymethyl)oxan-4-yl] (E)-3-phenylprop-2-enoate
|
592.50
|
3.5
|
5
|
12
|
185.35
|
9
|
|
|
Quercetin-3-O-[alpha-L-rhamnopyranosyl-(1->2)-alpha-L-rhamnopyranoside]
|
594.50
|
-0.2
|
9
|
15
|
249.2
|
5
|
|
|
cis-Annonacin
|
596.90
|
8.4
|
4
|
7
|
116.45
|
26
|
|
|
Arianacin
|
596.90
|
8.8
|
4
|
7
|
116.45
|
26
|
|
|
[(2R,3S,4R,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-6-yl]-4,5-dihydroxy-3-methoxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
|
624.50
|
1.8
|
8
|
14
|
236.81
|
8
|
|
|
Cryptophycin 17
|
625.10
|
6.7
|
3
|
7
|
131.03
|
7
|
|
|
1-[2-hydroxy-3,6-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]-3-phenylpropan-1-one
|
626.60
|
-0.7
|
8
|
15
|
234.29
|
12
|
|
|
Cryptophycin 40
|
641.10
|
5.7
|
2
|
8
|
132.56
|
8
|
|
|
ginsenoside Rh5
|
652.90
|
4.8
|
6
|
9
|
149.07
|
8
|
|
|
Cryptophycin 38
|
655.20
|
6.2
|
2
|
8
|
132.56
|
8
|
|
|
[(2R,3S,4S,5R,6R)-6-[(3S)-1,7-bis(3,4-dihydroxyphenyl)-5-oxoheptan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 4-hydroxy-3-methoxybenzoate
|
658.60
|
1.7
|
8
|
14
|
232.9
|
15
|
|
|
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,4aR,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-9-formyl-1,10,11-trihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
664.80
|
2.6
|
7
|
11
|
194.21
|
5
|
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