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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(3S,4aS,5R,6S)-5-ethenyl-1-oxo-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl] (2S)-2-methylbutanoate
|
458.50
|
0.5
|
4
|
11
|
161.21
|
8
|
|
|
(1R,4R,6R,11R)-11-(2-hydroxypropan-2-yl)-4-prop-2-enyl-7,9,10-trioxatricyclo[4.3.3.01,6]dodecan-3-one
|
282.33
|
0.6
|
1
|
5
|
64.99
|
3
|
|
|
1-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,8-dihydroxy-6-methylanthracene-9,10-dione
|
594.50
|
-0.7
|
9
|
15
|
253.13
|
6
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,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]-16-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
854.00
|
1.2
|
9
|
16
|
238.48
|
7
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,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]-16-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
854.00
|
1.2
|
9
|
16
|
238.48
|
7
|
|
|
(1R,2R,9S,10S,14S)-14-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane-6,16-dione
|
278.35
|
0.2
|
1
|
3
|
60.85
|
0
|
|
|
(2S,3R,4S,5S,6R)-2-[[6-[(3S,3aR,6R,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-1,3-benzodioxol-5-yl]oxy]-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
|
664.60
|
-1.6
|
6
|
16
|
213.68
|
7
|
|
|
CID 101679037
|
420.50
|
0.6
|
2
|
8
|
118.73
|
4
|
|
|
methyl (1S,14S,15Z,18S)-15-ethylidene-18-(hydroxymethyl)-17-methyl-12-oxo-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate
|
382.50
|
1.6
|
2
|
5
|
82.63
|
3
|
|
|
2,10,11-trimethoxy-6,7-dihydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-3-one
|
338.40
|
1.4
|
1
|
4
|
49.2
|
3
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aR,12aS,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-9-oxo-2,3,4a,5,6,7,8,10,12,12a,14,14a-dodecahydro-1H-picen-3-yl]oxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
|
925.10
|
3.3
|
9
|
17
|
271.59
|
8
|
|
|
(4aS,6aS,6aR,6bS,8aS,9R,10S,12aS,14aS,14bS)-10-hydroxy-2,2,4a,6a,6a,8a,9,14a-octamethyl-3,4,6,6b,7,8,9,10,11,12,12a,13,14,14b-tetradecahydro-1H-picen-5-one
|
442.70
|
8.2
|
1
|
2
|
37.3
|
0
|
|
|
Rhein
|
284.22
|
2.2
|
3
|
6
|
111.9
|
1
|
|
|
Camphene hydrate
|
154.25
|
2.3
|
1
|
1
|
20.23
|
0
|
|
|
(1S,8R,9R,16R)-8,16-bis(4-hydroxyphenyl)tetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10(15),11,13-hexaene-4,6,12,14-tetrol
|
454.50
|
4.6
|
6
|
6
|
121.38
|
2
|
|
|
(1R,8S,9S,16S)-8,16-bis(4-hydroxyphenyl)tetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10(15),11,13-hexaene-4,6,12,14-tetrol
|
454.50
|
4.6
|
6
|
6
|
121.38
|
2
|
|
|
12-[(2R,5S,6S)-5-hydroxy-6-methylpiperidin-2-yl]dodecanoic acid
|
313.50
|
2.2
|
3
|
4
|
69.56
|
12
|
|
|
Camphidine
|
153.26
|
2.2
|
1
|
1
|
12.03
|
0
|
|
|
6,9,11-Trihydroxy-7-(2-methylbut-3-en-2-yl)furo[3,2-b]xanthen-5-one
|
352.30
|
4.8
|
3
|
6
|
104.04
|
2
|
|
|
6,7,11-Trihydroxy-9-(2-methylbut-3-en-2-yl)furo[3,2-b]xanthen-5-one
|
352.30
|
4.8
|
3
|
6
|
104.04
|
2
|
|
|
(1R,2S,5S,6S,9R,12S,13R)-N,6,13-trimethyl-16-oxo-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icosa-14,17-diene-7-carboxamide
|
368.50
|
3.6
|
1
|
2
|
49.41
|
0
|
|
|
4-[hydroxy-[(3S,4S)-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-yl]methyl]-2,6-dimethoxyphenol
|
390.40
|
2.4
|
3
|
7
|
97.61
|
7
|
|
|
4-[[(3S,4S)-4-[ethoxy-(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-yl]-hydroxymethyl]-2-methoxyphenol
|
404.50
|
2.2
|
3
|
7
|
97.61
|
8
|
|
|
Butanoic acid, 3-methyl-, 4-[(acetyloxy)methyl]-1,4a,5,6,7,7a-hexahydro-7-methylcyclopenta[c]pyran-1-yl ester, [1S-(1I+/-,4aI+/-,7I+/-,7aI+/-)]-
|
310.40
|
3.1
|
0
|
5
|
61.83
|
7
|
|
|
(1,3-Dihydroxy-9,10-dioxoanthracen-2-yl) acetate
|
298.25
|
2.5
|
2
|
6
|
100.9
|
2
|
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