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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
methyl (1S,3R,4R,5R)-1,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-4,5-dihydroxycyclohexane-1-carboxylate
|
530.50
|
1.9
|
6
|
12
|
200.28
|
10
|
|
|
(2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(1S,2S)-1-(3,4-dihydroxyphenyl)-2-hydroxy-3-(2,4,6-trihydroxyphenyl)propyl]-3,4-dihydro-2H-chromene-3,5,7-triol
|
580.50
|
2.7
|
11
|
12
|
231.76
|
6
|
|
|
(2R,3R,4R,5R,6S)-2-[[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[(2Z,6E,10Z,14S)-10-(hydroxymethyl)-2,6,14-trimethyl-14-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadeca-2,6,10,15-tetraenoxy]-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
|
939.00
|
-2
|
13
|
21
|
336.83
|
22
|
|
|
(2R,3R,4R,5R,6S)-2-[[(2R,3S,4R,5R,6S)-6-[(2Z,6E,10E,14S)-14-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10-ethyl-6,14-dimethylhexadeca-2,6,10,15-tetraen-2-yl]oxy-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
|
1085.20
|
-2.6
|
15
|
25
|
395.75
|
24
|
|
|
(2R,3R,4R,5R,6S)-2-[[(2R,3S,4R,5R,6S)-6-[(2Z,6E,10Z,14S)-14-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10-(hydroxymethyl)-6,14-dimethylhexadeca-2,6,10,15-tetraen-2-yl]oxy-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
|
1087.20
|
-4.3
|
16
|
26
|
415.98
|
24
|
|
|
Epigambogic acid
|
628.70
|
7.3
|
2
|
8
|
119.36
|
8
|
|
|
Shatavarin I
|
1067.20
|
-0.9
|
14
|
23
|
366.29
|
15
|
|
|
(2R,3R)-3-hydroxy-5-oxooxolane-2,3-dicarboxylic acid
|
190.11
|
-1.2
|
3
|
7
|
121.13
|
2
|
|
|
(2S,3R,4R,5S,6R)-2-[(3R,6E,10S)-3,10-dihydroxy-2,6,10-trimethyldodeca-6,11-dien-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
|
402.50
|
1.3
|
6
|
7
|
130.61
|
10
|
|
|
(2R,3R,4S,5S,6R)-2-[(3S,5S,6E,10R,11R,14E,16S,18S)-3,18-dihydroxy-3,7,14,18-tetramethyl-10,11-bis(prop-1-en-2-yl)-16-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyicosa-1,6,14,19-tetraen-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
799.00
|
3.7
|
10
|
14
|
239.22
|
23
|
|
|
(2R,3R,4S,5S,6R)-2-[(3S,5S,6E,10S,11S,14E,16S,18S)-3,18-dihydroxy-3,7,14,18-tetramethyl-10,11-bis(prop-1-en-2-yl)-16-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyicosa-1,6,14,19-tetraen-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
799.00
|
3.7
|
10
|
14
|
239.22
|
23
|
|
|
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(1R,4S,5R,6S,7R,8S,9S)-4,5,6-trihydroxy-2,10-dioxatricyclo[5.3.1.04,8]undecan-9-yl]oxy]oxan-2-yl]methyl (E)-3-phenylprop-2-enoate
|
510.50
|
-1.8
|
6
|
12
|
184.6
|
7
|
|
|
[(6S)-6-[(2S,3R,8R,9R,10S,13R,14S,16R,17R)-3,16-dihydroxy-4,4,9,13,14-pentamethyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-5-oxoheptan-2-yl] acetate
|
694.90
|
3
|
6
|
11
|
183.21
|
10
|
|
|
[(E,6R)-6-[(2S,3R,8R,9R,10S,13R,14S,16R,17R)-3,16-dihydroxy-4,4,9,13,14-pentamethyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate
|
708.90
|
2.6
|
7
|
12
|
203.44
|
9
|
|
|
[(E,6S)-6-[(2S,3R,8R,9R,10S,13R,14S,16R,17R)-3,16-dihydroxy-4,4,9,13,14-pentamethyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-5-oxohept-3-en-2-yl] acetate
|
692.90
|
3
|
6
|
11
|
183.21
|
9
|
|
|
methyl (13E)-13-ethylidene-15-oxido-8-aza-15-azoniapentacyclo[10.5.1.01,9.02,7.010,15]octadeca-3,5,7,9-tetraene-18-carboxylate
|
338.40
|
0.8
|
0
|
4
|
61.72
|
2
|
|
|
(3S,3aS,4S,6aR)-3,4,5-tris(hydroxymethyl)-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one
|
214.21
|
-1.5
|
3
|
5
|
86.99
|
3
|
|
|
2,6-Dimethoxytricyclo[5.2.1.04,10]deca-2,5,8-triene
|
190.24
|
1.8
|
0
|
2
|
18.46
|
2
|
|
|
3-[(1R,4R,5R,6S,8R,9R)-9-hydroxy-5,9-dimethyl-4-prop-1-en-2-yl-5-tricyclo[6.2.2.01,6]dodecanyl]propanoic acid
|
320.50
|
4.5
|
2
|
3
|
57.53
|
4
|
|
|
3-[(1R,4R,5R,6S,8R,9R)-9-hydroxy-9-(hydroxymethyl)-5-methyl-4-prop-1-en-2-yl-5-tricyclo[6.2.2.01,6]dodecanyl]propanoic acid
|
336.50
|
3.4
|
3
|
4
|
77.76
|
5
|
|
|
3-[(1S,4R,5R,6S,8R,9S)-9-(hydroxymethyl)-5-methyl-4-prop-1-en-2-yl-5-tricyclo[6.2.2.01,6]dodecanyl]propanoic acid
|
320.50
|
4.8
|
2
|
3
|
57.53
|
5
|
|
|
3-[(1S,4R,5R,6R,8R)-9-(hydroxymethyl)-5-methyl-4-prop-1-en-2-yl-5-tricyclo[6.2.2.01,6]dodec-9-enyl]propanoic acid
|
318.40
|
4.2
|
2
|
3
|
57.53
|
5
|
|
|
[(1S,2S,3R,4R)-3-benzoyloxy-1,2,4-trihydroxy-6-oxocyclohexyl]methyl benzoate
|
400.40
|
0.9
|
3
|
8
|
130.36
|
7
|
|
|
5-Cyclohexene-1,2,3,4-tetrol, 1-[(benzoyloxy)methyl]-, 4-benzoate, (1R,2R,3R,4S)-
|
384.40
|
1.5
|
3
|
7
|
113.29
|
7
|
|
|
[(1R,4S,5R,6S)-6-acetyloxy-5-benzoyloxy-1,4-dihydroxycyclohex-2-en-1-yl]methyl benzoate
|
426.40
|
2.1
|
2
|
8
|
119.36
|
9
|
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