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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(3R)-3-[(1R,2R,4S,7S,8S,11S,12R,16S)-7-(furan-3-yl)-1,8,15,15-tetramethyl-5,18-dioxo-3,6,14-trioxapentacyclo[9.7.0.02,4.02,8.012,16]octadecan-12-yl]-3-hydroxypropanoic acid
|
488.50
|
1
|
2
|
9
|
135.8
|
4
|
|
|
7-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-6,8-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
|
726.60
|
-3.7
|
13
|
19
|
330.12
|
8
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(1R,2S,4S,8S,9S,12S,13S,16S,18S)-7,9,13-trimethyl-6-[(3S)-3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-6-en-16-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
1049.20
|
-0.7
|
13
|
22
|
346.06
|
15
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3S,4R,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl]oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
735.00
|
5.8
|
6
|
10
|
158.3
|
5
|
|
|
[(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 4-hydroxybenzoate
|
436.40
|
1.1
|
6
|
10
|
166.14
|
8
|
|
|
(1S,2R,4R,6R,8S,10R,12R,13R,16S,17S)-16-[(1S)-1-[(2S)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-13,16-dihydroxy-2,17-dimethyl-5,9-dioxahexacyclo[10.7.0.02,8.04,6.08,10.013,17]nonadecan-3-one
|
502.60
|
1.1
|
3
|
8
|
129.12
|
2
|
|
|
7-[(6R)-7-chloro-6-hydroxy-3,7-dimethyloct-2-enoxy]chromen-2-one
|
350.80
|
4.2
|
1
|
4
|
59.67
|
7
|
|
|
(1R,5S,6S,8S,9S,12S,13R)-8-hydroxy-6,7,13-trimethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icosa-2,14,17-trien-16-one
|
339.50
|
3
|
1
|
3
|
40.54
|
0
|
|
|
3-Hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-h]chromen-8-one
|
262.26
|
1.4
|
2
|
5
|
79.9
|
1
|
|
|
(5S,8S,9S,10R,14R)-4,4,8,10,14-pentamethyl-17-[(2R,4S,5R)-4,5,6-trihydroxy-6-methylheptan-2-yl]-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one
|
474.70
|
5
|
3
|
4
|
77.76
|
5
|
|
|
(10S,11R,12S,13R,15S)-13-[3,5-dihydroxy-4-(3-phenylpropanoyl)phenoxy]-3,4,5,11,12,21,22,23-octahydroxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaene-8,18-dione
|
722.60
|
2.7
|
10
|
17
|
290.43
|
6
|
|
|
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6R)-2-[[(1R,3R,6S,8S,11R,12S,14S,15R,16R,18R)-14,18-dihydroxy-15-[(2R,5S)-5-hydroxy-6-methylheptan-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
963.20
|
1
|
13
|
19
|
318.37
|
14
|
|
|
(2R,3R,6R)-6-[(3S,5R,10S,12R,13R,14S,17R)-3,12-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2,3-dimethyl-4-oxoheptanoic acid
|
502.70
|
5.5
|
3
|
5
|
94.83
|
6
|
|
|
16-Methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,9,11,14(19),15,17-octaen-13-one
|
289.30
|
3.8
|
0
|
4
|
48.42
|
0
|
|
|
[(3aR,4R,5aS,9aS,9bS)-5a,9-dimethyl-3-methylidene-2-oxo-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-4-yl] furan-3-carboxylate
|
342.40
|
3.5
|
0
|
5
|
65.74
|
3
|
|
|
(2S,3S,4R,5R,6S)-6-[[(3S,4R,4aR,6aR,6bS,8S,8aR,9R,10R,12aS,14aS,14bR)-8,9-dihydroxy-4-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-8a-[[(E)-2-methylbut-2-enoyl]oxymethyl]-2,3,4a,5,6,6b,7,8,9,10,12,12a,14,14a-tetradecahydro-1H-picen-3-yl]oxymethyl]-3,4,5-trihydroxyoxane-2-carboxylic acid
|
847.00
|
4.4
|
7
|
14
|
229.74
|
12
|
|
|
(2S,3R,4R,5S,6S)-2-methyl-6-[[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-[[(3S,5R,8S,9S,10R,12S,13S,14R,17R)-12-hydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
|
931.20
|
2.4
|
11
|
17
|
277.91
|
12
|
|
|
(2R)-7-(3-methylbut-2-enoxy)-2-phenyl-2,3-dihydrochromen-4-one
|
308.40
|
4.4
|
0
|
3
|
35.53
|
4
|
|
|
(2R,3R,4S,5R,6R)-4-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-2,3,5-triol
|
576.80
|
7.7
|
4
|
6
|
99.38
|
9
|
|
|
(1S,2R,5S,6R,9R,12S,13S,16R)-N,N,6,7,13-pentamethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine
|
356.60
|
4.9
|
0
|
2
|
6.48
|
1
|
|
|
(1E,4S,5R,8S,13R,16S,19R,22R)-8-[(2R,3R,4R,5R,6R)-3-hydroxy-5-[(2S,4S,5R,6S)-5-[(2S,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.04,13.05,10.019,22]docosa-1,10-diene-14,21-dione
|
822.90
|
2.1
|
2
|
16
|
185.36
|
9
|
|
|
(1E,4S,5R,8S,13R,16R,19R,22R)-8-[(2S,3S,4S,5S,6S)-3-hydroxy-5-[(2S,4R,5R,6R)-5-[(2S,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.04,13.05,10.019,22]docosa-1,10-diene-14,21-dione
|
822.90
|
2.1
|
2
|
16
|
185.36
|
9
|
|
|
(1E,4S,5R,8S,13R,16R,19R,22R)-8-[(2R,3R,4R,5R,6R)-3-hydroxy-5-[(2S,4S,5S,6S)-5-[(2S,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.04,13.05,10.019,22]docosa-1,10-diene-14,21-dione
|
822.90
|
2.1
|
2
|
16
|
185.36
|
9
|
|
|
[4,5-Diacetyloxy-6-[2-[3'-(3,4-dihydroxy-6-methyl-5-oxooxan-2-yl)oxy-4',16-dihydroxy-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-2-methyloxan-3-yl] acetate
|
1009.10
|
0.4
|
6
|
21
|
291.19
|
12
|
|
|
[(2S,3S,4R,5R,6S)-4,5-diacetyloxy-6-[(2S,3R,4S,5S)-2-[(1S,2S,3'R,4S,4'S,6S,7S,8R,9S,12S,13R,14R,16R)-3'-[(2S,3R,4R,6R)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl]oxy-4',16-dihydroxy-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-2-methyloxan-3-yl] acetate
|
1009.10
|
0.4
|
6
|
21
|
291.19
|
12
|
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