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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
|
562.50
|
-1.7
|
7
|
15
|
223.29
|
12
|
|
|
(2S)-2-[[(2S)-2-(2-methylbut-3-en-2-ylamino)-3-phenylpropanoyl]amino]-3-phenyl-N-[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]propanamide
|
566.80
|
6.3
|
3
|
5
|
111.36
|
14
|
|
|
[(1S,2S,3R,5S,8R,9R,10R)-2,10-diacetyloxy-1,9-dihydroxy-8,12,15,15-tetramethyl-4-methylidene-13-oxo-5-tricyclo[9.3.1.03,8]pentadec-11-enyl] (E)-3-phenylprop-2-enoate
|
580.70
|
2.8
|
2
|
9
|
136.43
|
8
|
|
|
9-[[(2R,4R)-9'-[(2R)-2,3-dihydroxy-3-methylbutoxy]-5,5-dimethylspiro[1,3-dioxolane-2,7'-furo[3,2-g]chromene]-4-yl]methoxy]furo[3,2-g]chromen-7-one
|
590.60
|
4.2
|
2
|
11
|
143.1
|
7
|
|
|
Dammarenediol II 3-O-caffeate
|
606.90
|
10.5
|
3
|
5
|
86.99
|
8
|
|
|
[(2R,3S,4S,5R,6S)-3,4-dihydroxy-6-[4-(3-oxobutyl)phenoxy]-5-[(E)-3-phenylprop-2-enoyl]oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
|
608.60
|
3
|
5
|
12
|
189.28
|
13
|
|
|
(2R,3R,4S,5S,6R)-2-[(Z,5R,6S)-6-[(1S,3R,8S,9S,10R,13S,14S,17R)-1,3-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-2,3-dimethylhept-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
608.80
|
3.7
|
7
|
9
|
160.07
|
8
|
|
|
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
|
610.50
|
-1.4
|
9
|
16
|
258.43
|
7
|
|
|
Annoglaxin
|
610.90
|
6.7
|
4
|
8
|
133.52
|
26
|
|
|
[(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 benzoate
|
612.60
|
2.1
|
7
|
12
|
203.44
|
14
|
|
|
resveratrol (E)-dehydrodimer 11-O-beta-D-glucopyranoside
|
616.60
|
3.6
|
8
|
11
|
189.53
|
7
|
|
|
Uncarinic acid E
|
618.80
|
8.4
|
3
|
6
|
104.06
|
6
|
|
|
Cryptophycin 45
|
659.60
|
7.4
|
3
|
7
|
131.03
|
7
|
|
|
3-[(3S,5S,8R,9S,10R,13R,14S,17R)-3-[(2R,3R,4S,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,14-dihydroxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
|
698.80
|
-1.5
|
8
|
14
|
225.06
|
6
|
|
|
[(1S,6R,13S,14R,15R)-1,6,14-trihydroxy-4,12,12,15-tetramethyl-13-[(E)-2-methylbut-2-enoyl]oxy-5-oxo-8-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl]methyl (9Z,12Z)-octadeca-9,12-dienoate
|
709.00
|
8.3
|
3
|
8
|
130.36
|
20
|
|
|
Val-val
|
216.28
|
-2.8
|
3
|
4
|
92.42
|
5
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3S,4R,5R,6R)-6-[(1S,2S,4S,5'S,6R,7S,8R,9S,12S,13R,16S,18S,19S)-18,19-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
756.90
|
0.9
|
8
|
14
|
217.22
|
5
|
|
|
[(10R,13R,14R,15S)-3,4,5,11,20,21,22-heptahydroxy-8,17-dioxo-14-(3,4,5-trihydroxybenzoyl)oxy-9,12,16-trioxatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,18,20-hexaen-13-yl]methyl 3,4,5-trihydroxybenzoate
|
786.60
|
1.2
|
13
|
22
|
377.42
|
7
|
|
|
7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxychromen-4-one
|
800.70
|
-2.2
|
11
|
21
|
326.58
|
11
|
|
|
7-Methoxycoumarin
|
176.17
|
1.9
|
0
|
3
|
39.44
|
1
|
|
|
Operculinic acid C
|
857.00
|
0.8
|
10
|
19
|
293.21
|
22
|
|
|
[(2R,3R,4S,5S)-5-(acetyloxymethyl)-5-[(2R,3R,4S,5S,6R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-hydroxyoxan-2-yl]oxy-3-hydroxy-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxyoxolan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
862.80
|
1.3
|
4
|
21
|
284.87
|
23
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5'R,6S,6'R,7S,8R,9S,12S,13R,16S)-6'-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
871.00
|
0.9
|
9
|
17
|
255.91
|
7
|
|
|
17-(16,24-Dihydroxy-5-methoxy-14-oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2(7),3,5,10(29),11,13(28),15(27),16,18,22,25-dodecaen-17-yl)-5-methoxy-14-oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2(7),3,5,10(29),11,13(28),15(27),16,18,22,25-dodecaene-16,24-diol
|
875.00
|
13.4
|
4
|
8
|
117.84
|
3
|
|
|
[(2S,3S,4S,5R,6R)-6-[[(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-5-hydroxy-2-methyl-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
886.80
|
0.3
|
11
|
21
|
334.42
|
12
|
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