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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2S,3R,4S,5S,6S)-2-[2-(3,4-dihydroxyphenyl)-7-hydroxy-3-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
611.50
|
|
11
|
15
|
270.75
|
7
|
|
|
(2S)-1-[(2R)-2-amino-3-(carboxymethylamino)-3-sulfanylidenepropyl]-5-oxopiperidine-2-carboxylic acid
|
303.34
|
-6.1
|
4
|
8
|
165.05
|
6
|
|
|
(2R,8R)-5-hydroxy-2-(4-hydroxyphenyl)-8-methyl-8-(4-methylpent-3-enyl)-2,3-dihydropyrano[2,3-h]chromen-4-one
|
406.50
|
5.6
|
2
|
5
|
75.99
|
4
|
|
|
(6S)-3,8-dihydroxy-10-methoxy-9-(3-methylbut-2-enyl)-6-(2-methylprop-1-enyl)-6H-chromeno[4,3-b]chromen-7-one
|
434.50
|
6.2
|
2
|
6
|
89.13
|
4
|
|
|
(15S)-11,20-dihydroxy-19-methoxy-7,7-dimethyl-15-(2-methylprop-1-enyl)-2,8,16-trioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,10,17,19,21-octaen-13-one
|
448.50
|
5.2
|
2
|
7
|
98.36
|
2
|
|
|
(6R)-3,8,10-trihydroxy-9-(3-methylbut-2-enyl)-6-(2-methylprop-1-enyl)-6H-chromeno[4,3-b]chromen-7-one
|
420.50
|
5.8
|
3
|
6
|
100.13
|
3
|
|
|
cyclo[Ala-Ala-Phe-Thr-Pro-Ala-Pro-aIle-Val]
|
868.00
|
2.1
|
8
|
10
|
264.55
|
6
|
|
|
(2R,4aS,7S)-1,4a-dimethyl-7-prop-1-en-2-yl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol
|
220.35
|
3.4
|
1
|
1
|
20.23
|
1
|
|
|
(1R,2R,5R,7Z)-7-ethylidene-1,2,8,8-tetramethylbicyclo[3.2.1]octane
|
192.34
|
4.7
|
0
|
0
|
0
|
0
|
|
|
bis[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl] (2S)-2-[(2S)-butan-2-yl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanedioate
|
888.90
|
-2.1
|
12
|
22
|
350.74
|
20
|
|
|
bis[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl] (2R,3S)-2-[(2S)-butan-2-yl]-3-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanedioate
|
904.90
|
-2.6
|
13
|
23
|
370.97
|
20
|
|
|
(3S,4R)-4-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxycarbonyl]hexanoic acid
|
620.60
|
-1.8
|
9
|
16
|
262.36
|
14
|
|
|
(1S,6S,13S)-13-hydroxy-16,17-dimethoxy-6-[3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyprop-1-en-2-yl]-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one
|
588.60
|
0.5
|
5
|
13
|
182.83
|
7
|
|
|
(2S,3S,4R,5R,6S)-2-[[(2R,4aS,4bS,7S,10aR)-7-[(1S)-1,2-dihydroxyethyl]-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthren-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
484.60
|
1.6
|
6
|
8
|
139.84
|
5
|
|
|
(E)-1-[(3R)-3,5-dihydroxy-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one
|
370.40
|
3.5
|
3
|
6
|
96.22
|
4
|
|
|
methyl (1S,4aS,7R,7aR)-7-methyl-6-oxo-1-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
|
388.40
|
-1.7
|
4
|
10
|
151.98
|
5
|
|
|
(1R,2S,3S,4S,5R,6R,8S,12R,13R,16S,19R,20S,21S)-14-ethyl-6,19-dimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane-4,21-diol
|
435.60
|
0.5
|
2
|
7
|
80.62
|
3
|
|
|
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[7-hydroxy-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromenylium-5-yl]oxyoxane-3,4,5-triol
|
627.50
|
|
12
|
16
|
290.98
|
7
|
|
|
(2R,3R,4S,5R,6R)-2-methyl-6-[[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[7-hydroxy-5-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol
|
773.70
|
|
14
|
20
|
349.9
|
9
|
|
|
2-hydroxyethyl-dimethyl-[(1S,3S,4S,7S,8S,11R,12R,13S)-12-methyl-9-oxo-13-propan-2-yl-2,10-dioxatetracyclo[5.4.1.18,11.04,12]tridecan-3-yl]azanium
|
338.50
|
2.4
|
1
|
4
|
55.76
|
4
|
|
|
(1R,2R,5S,6S,9S,15R,16S)-15-methyl-16-propan-2-yl-3,14-dioxa-11-azapentacyclo[7.5.1.12,5.01,11.06,15]hexadecan-4-one
|
291.40
|
2.5
|
0
|
4
|
38.77
|
1
|
|
|
(1R,5R,6S,7R)-7-(1,3-benzodioxol-5-yl)-3-methoxy-6-methyl-5-prop-2-enylbicyclo[3.2.1]oct-3-ene-2,8-dione
|
340.40
|
3.5
|
0
|
5
|
61.83
|
4
|
|
|
(1R,4aR,7S,7aS)-7-methyl-1-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
|
360.36
|
-0.4
|
5
|
9
|
145.91
|
4
|
|
|
(2S,3R,4S,5R,6R)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2S,4S,5'R,6R,7S,8R,9S,12R,13R,16S,18S)-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-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
1035.20
|
-0.4
|
12
|
22
|
335.06
|
11
|
|
|
(3S,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-3-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
|
973.10
|
1.2
|
12
|
20
|
332.28
|
11
|
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