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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-5-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-[[(1S,2S,4S,7S,8R,9S,12S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2R,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-18-en-16-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
1521.60
|
-7
|
22
|
37
|
583.51
|
23
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-5-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-[[(1S,2S,4S,7S,8R,9S,12S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-[3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]but-3-enyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
1519.60
|
-7
|
22
|
37
|
583.51
|
23
|
|
|
[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14-hydroxy-3-[(2R,4R,5S,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] 3-methylbutanoate
|
618.80
|
3.6
|
2
|
9
|
120.75
|
8
|
|
|
Digoxoside
|
911.10
|
1.1
|
7
|
17
|
241.75
|
9
|
|
|
19-Oxocinobufotalin
|
472.50
|
1.3
|
2
|
8
|
126.57
|
4
|
|
|
(3S,8R,9S,10R,13S,14S,17R)-17-acetyl-3-[(3R,4S,5S,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-17-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,12,14,16-decahydrocyclopenta[a]phenanthrene-11,15-dione
|
520.60
|
-0.3
|
3
|
9
|
139.59
|
4
|
|
|
[2-[(3S,8S,9R,10R,12R,13S,14R,17S)-12-benzoyloxy-3,8,14,17-tetrahydroxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] benzoate
|
604.70
|
3.4
|
4
|
9
|
150.59
|
8
|
|
|
(3R,8S,9S,10R,13S,14S,17R)-17-ethyl-10,13-dimethyl-3-(methylamino)-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one
|
329.50
|
4.3
|
1
|
2
|
29.1
|
2
|
|
|
(2R,3R,8R,9S,10R,13S,14S,16R,17Z)-3-(dimethylamino)-17-ethylidene-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-2,16-diol
|
359.50
|
3.4
|
2
|
3
|
43.7
|
1
|
|
|
(1R,2S,5S,6S,9R,12S,13S,16S,18S)-N,6,7,13-tetramethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icosan-16-amine
|
344.60
|
5.2
|
1
|
2
|
15.27
|
1
|
|
|
(1R,2S,5S,6S,9R,12S,13S,16R,18S)-N,N,6,7,13-pentamethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icosan-16-amine
|
358.60
|
5.7
|
0
|
2
|
6.48
|
1
|
|
|
(1R,2S,5S,6S,9R,12S,13R,16S,20S)-16-(dimethylamino)-6,7,13-trimethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-20-ol
|
372.60
|
3.7
|
1
|
3
|
26.71
|
1
|
|
|
(1R,2S,3R,4R,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-piperidine]-3,16-diol
|
431.70
|
5.2
|
3
|
4
|
61.72
|
0
|
|
|
(1R,2S,3S,4R,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-piperidine]-3,16-diol
|
431.70
|
5.2
|
3
|
4
|
61.72
|
0
|
|
|
(1R,2S,3R,4R,5'S,6S,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-piperidine]-3,16-diol
|
431.70
|
5.2
|
3
|
4
|
61.72
|
0
|
|
|
(1R,2S,3R,4R,5'S,6S,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-3,16-diol
|
429.60
|
4.4
|
3
|
4
|
61.72
|
0
|
|
|
(1R,2S,3R,4R,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-3,16-diol
|
429.60
|
4.4
|
3
|
4
|
61.72
|
0
|
|
|
[(1S,2S,6S,9S,11R,12R,13S,14S,15S,18S,19S,22S,23S,25R)-10,12,13,14,23-pentahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] 3,4-dimethoxybenzoate
|
657.80
|
2.1
|
5
|
11
|
158.38
|
5
|
|
|
[(1S,2S,6S,9S,11R,12R,13S,14S,15S,16S,17R,18R,19S,22S,23S,25R)-17-acetyloxy-10,12,14,16,23-pentahydroxy-6,10,19-trimethyl-13-[(2R)-2-methylbutanoyl]oxy-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] (2S)-2-hydroxy-2-methylbutanoate
|
751.90
|
1.6
|
6
|
14
|
212.75
|
10
|
|
|
(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11R,11aS,11bR)-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3,11-diol
|
427.60
|
2.4
|
3
|
4
|
61.72
|
0
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[[(1S,2S,7S,10R,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
705.90
|
2.8
|
6
|
11
|
161.54
|
5
|
|
|
(1R,3Z,6R,7Z,9S,11Z,13R,14S,17R,18S)-6,14-dihydroxy-18-(1H-indol-3-ylmethyl)-7,9,15,16-tetramethyl-19-azatricyclo[11.7.0.01,17]icosa-3,7,11,15-tetraene-2,5,20-trione
|
528.60
|
2.6
|
4
|
5
|
119.49
|
2
|
|
|
5-Chloro-6,8-dihydroxy-3-methylisochromen-1-one
|
226.61
|
2.8
|
2
|
4
|
70.67
|
0
|
|
|
(1R,5R,6R,7S,13R,21S)-5,13-bis(4-hydroxyphenyl)-7-[(2R,3S)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol
|
816.80
|
4.4
|
11
|
15
|
259.45
|
4
|
|
|
[(2R,3S,4S,5R,6S)-6-[[(3S,4R,4aS)-4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 2,3-dihydroxybenzoate
|
494.40
|
0.6
|
5
|
12
|
181.44
|
7
|
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