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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
1-O-[(1R,11S,12S,13R,15S)-13-methoxy-5,7,21-trioxa-19-azahexacyclo[11.7.1.02,10.04,8.011,15.015,19]henicosa-2,4(8),9-trien-12-yl] 4-O-methyl (2R)-2-hydroxy-2-(4-methylpentyl)butanedioate
|
545.60
|
3
|
1
|
10
|
112.99
|
11
|
|
|
1-O-[(2S,3S,6R)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-yl] 4-O-methyl (2R,3S)-2,3-dihydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate
|
561.60
|
0.3
|
3
|
11
|
144.22
|
11
|
|
|
5,7-Dihydroxy-3',4'-dimethoxy-8-(3-hydroxy-3-methylbutyl)-isoflavone 7-glucoside
|
562.60
|
1.7
|
6
|
12
|
188.51
|
9
|
|
|
Calyxin H
|
566.60
|
7.1
|
5
|
7
|
127.45
|
12
|
|
|
(1S,2R,4R,5Z,12R,13S,16Z)-25-[(1R)-8-hydroxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]-11,22-diazapentacyclo[11.11.2.12,22.02,12.04,11]heptacosa-5,16,25-trien-13-ol
|
568.80
|
4.5
|
4
|
5
|
74.76
|
1
|
|
|
glycitein 7-O-beta-D-(2'',4'',6''-O-triacetyl)glucopyranoside
|
572.50
|
1.8
|
2
|
13
|
177.26
|
11
|
|
|
6-[(2R,3S,4R,5S,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
|
578.50
|
-0.7
|
9
|
14
|
239.97
|
4
|
|
|
(2S)-7-hydroxy-8-[(E,1S,5S)-5-hydroxy-1,7-bis(4-hydroxyphenyl)hept-2-enyl]-2-(4-hydroxyphenyl)-5-methoxy-2,3-dihydrochromen-4-one
|
582.60
|
5.8
|
5
|
8
|
136.68
|
10
|
|
|
Deguelin
|
394.40
|
3.7
|
0
|
6
|
63.22
|
2
|
|
|
[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] (Z)-3-(4-hydroxyphenyl)prop-2-enoate
|
588.90
|
9.9
|
2
|
4
|
66.76
|
5
|
|
|
gamma-Fagarine
|
229.23
|
2.9
|
0
|
4
|
44.49
|
2
|
|
|
(2S)-2-Methyl-4-[(2R,10R,13R)-2,10,13-trihydroxy-13-[(2R,5R)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2H-furan-5-one
|
596.90
|
8.8
|
4
|
7
|
116.45
|
26
|
|
|
Lycopsamine
|
299.36
|
-0.4
|
3
|
6
|
90.23
|
6
|
|
|
5-[(2R,3S,3aR,9bR)-2-[(1R)-1,2-dihydroxyethyl]-3,7,8,9-tetrahydroxy-5-oxo-2,3,3a,9b-tetrahydrofuro[3,2-c]isochromen-6-yl]-6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione
|
614.40
|
-0.5
|
10
|
17
|
298.25
|
3
|
|
|
24-Methylenecycloartanol, cis-ferulate
|
616.90
|
12.6
|
1
|
4
|
55.76
|
10
|
|
|
[(1R,2S,3S,5S,8R,9R,10S,11S,13R,16S)-2,11,16-triacetyloxy-5,8-dihydroxy-3-(2-hydroxypropan-2-yl)-6,10-dimethyl-14-oxatetracyclo[8.6.0.03,7.013,16]hexadec-6-en-9-yl] benzoate
|
630.70
|
0.8
|
3
|
12
|
175.12
|
10
|
|
|
Gambogenic Acid
|
630.80
|
7.9
|
3
|
8
|
130.36
|
10
|
|
|
(2R)-2-[(1R)-1-[(3R,8R,9S,10R,13R,17S)-10,13-dimethyl-1-oxo-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,7,8,9,11,12,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-1-hydroxyethyl]-5-(hydroxymethyl)-4-methyl-2,3-dihydropyran-6-one
|
632.70
|
0.7
|
6
|
11
|
183.21
|
6
|
|
|
[(1R,2R,4R,6S,8R,11R,12S,13R,16R,17R,19S,20R)-17-acetyloxy-8-(furan-3-yl)-12-hydroxy-4-methoxy-1,9,11,16-tetramethyl-5,14-dioxapentacyclo[11.6.1.02,11.06,10.016,20]icos-9-en-19-yl] (E)-3-phenylprop-2-enoate
|
646.80
|
4.7
|
1
|
9
|
113.66
|
8
|
|
|
(4aS,6aR,6aS,6bR,8aR,9R,10R,11S,12aS)-11-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12-dodecahydropicene-4a-carboxylic acid
|
648.80
|
3.2
|
7
|
10
|
177.14
|
5
|
|
|
Cryptophycin 54
|
655.20
|
6.2
|
2
|
8
|
132.56
|
8
|
|
|
Cryptophycin 26
|
657.20
|
6
|
3
|
8
|
140.26
|
10
|
|
|
[(1S,2S,3aR,4R,4aS,4bS,6R,8S,8aS,9aR,10R,10aR)-4,8,8a,10-tetraacetyloxy-3a,6-dihydroxy-2,4a,6,9a-tetramethyl-2,3,4,4b,5,7,8,9,10,10a-decahydro-1H-cyclopenta[b]fluoren-1-yl] benzoate
|
658.70
|
3.4
|
2
|
12
|
171.96
|
11
|
|
|
[(1R,2S,3S,5S,8R,9R,10S,11S,13R,16S)-2,5,11,16-tetraacetyloxy-8-hydroxy-3-(2-hydroxypropan-2-yl)-6,10-dimethyl-14-oxatetracyclo[8.6.0.03,7.013,16]hexadec-6-en-9-yl] benzoate
|
672.70
|
1.4
|
2
|
13
|
181.19
|
12
|
|
|
1,9-Dideoxyforskolin
|
378.50
|
3.3
|
1
|
5
|
72.83
|
3
|
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