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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
2-Hydroxyphenylacetic acid
|
152.15
|
0.9
|
2
|
3
|
57.53
|
2
|
|
|
Koelzioside
|
810.80
|
1.6
|
5
|
17
|
238.73
|
16
|
|
|
7-Epibaccatin III
|
586.60
|
1.2
|
3
|
11
|
165.89
|
7
|
|
|
[(1S,4S,7R,9S,10S,12R)-4-acetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9,12-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
|
811.90
|
1.9
|
5
|
13
|
215.22
|
12
|
|
|
methyl 2-[(1S,2R,5S,6S,10S,11S,13S,14S,16R)-6-(furan-3-yl)-10-hydroxy-1,5,15,15-tetramethyl-8,17-dioxo-7,18-dioxapentacyclo[11.3.1.111,14.02,11.05,10]octadecan-16-yl]acetate
|
486.60
|
1.9
|
1
|
8
|
112.27
|
4
|
|
|
2-[[3-[3,5-dihydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxymethyl]-6-[4,5-dihydroxy-2-[[(1S,2R,7S,10R,11R,14R,15S,16S,20S)-16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]-6-methyloxan-3-yl]oxyoxane-3,4,5-triol
|
1207.30
|
-1.6
|
14
|
26
|
393.98
|
13
|
|
|
2-[2-[2-[4,5-dihydroxy-2-[[(1S,2R,7S,10R,11R,14R,15S,16S,20S)-16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]-6-methyloxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxane-3,4,5-triol
|
1045.20
|
0.5
|
11
|
21
|
314.83
|
10
|
|
|
(3S,4S,6S)-2-(hydroxymethyl)-6-[(2S,3S,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
|
342.30
|
-4.7
|
8
|
11
|
189.53
|
4
|
|
|
2-(1H-indol-3-yl)ethanamine;sulfate
|
256.28
|
|
2
|
5
|
130.45
|
2
|
|
|
2-Acetamidophenol
|
151.16
|
0.7
|
2
|
2
|
49.33
|
1
|
|
|
(2S,3R,4S,5S,6R)-2-[[(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
508.50
|
0
|
7
|
11
|
178.53
|
9
|
|
|
[(1S,4aR,7aS)-7-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-5-yl] 4-hydroxy-3-methoxybenzoate
|
498.50
|
-0.3
|
6
|
12
|
184.6
|
7
|
|
|
5-hydroxy-2-(4-hydroxyphenyl)-8-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
594.50
|
-1.6
|
10
|
15
|
260.2
|
6
|
|
|
2-(4-hydroxyphenyl)-7-methoxy-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
|
608.50
|
-1.5
|
8
|
15
|
238.2
|
8
|
|
|
methyl 2-[(2R)-2-[(1aR,7aS)-4,5-diacetyloxy-3-(furan-3-yl)-3a-methyl-7-methylidene-1a,2,3,4,5,6-hexahydroindeno[1,7a-b]oxiren-6-yl]-2,6,6-trimethyl-5-oxocyclohex-3-en-1-yl]-2-acetyloxyacetate
|
612.70
|
3.1
|
0
|
11
|
147.94
|
11
|
|
|
8-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
|
564.50
|
-1.3
|
9
|
14
|
239.97
|
5
|
|
|
Zizybeoside I
|
432.40
|
-2.3
|
7
|
11
|
178.53
|
7
|
|
|
4-(beta-d-Glucopyranosyloxy)benzyl 4-hydroxybenzyl ether
|
392.40
|
0.9
|
5
|
8
|
128.84
|
7
|
|
|
Cappariloside B
|
496.50
|
-2.6
|
8
|
12
|
218.11
|
7
|
|
|
[(2R,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-phenylprop-2-enoate
|
310.30
|
0.1
|
4
|
7
|
116.45
|
5
|
|
|
5-hydroxy-6,7-dimethoxy-2-[3-methoxy-4-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
|
506.50
|
1.1
|
5
|
12
|
177.51
|
7
|
|
|
5-hydroxy-2-[3-hydroxy-4-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-6,7-dimethoxychromen-4-one
|
492.40
|
0.8
|
6
|
12
|
188.51
|
6
|
|
|
[(2R,3R,4R,5R,6R)-5-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethoxy]-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
814.80
|
-1.4
|
10
|
20
|
302.44
|
16
|
|
|
[(2R,3R,4R,5R,6R)-5-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethoxy]-2-(hydroxymethyl)-4-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
|
638.60
|
-0.2
|
8
|
15
|
234.29
|
12
|
|
|
[(2R,3R,4R,5R,6R)-5-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethoxy]-2-(hydroxymethyl)-4-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
652.60
|
0.1
|
7
|
15
|
223.29
|
13
|
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