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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Plathymenin
|
288.25
|
1.5
|
4
|
6
|
107.22
|
1
|
|
|
8-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-3,6-bis(3-methylbut-2-enyl)-2-(2,4,5-trihydroxyphenyl)chromen-4-one
|
574.70
|
9.6
|
5
|
7
|
131.36
|
10
|
|
|
3-[(8aS,10aS)-4-hydroxy-8,8,10a-trimethyl-6,7,8a,9-tetrahydro-5H-xanthen-1-yl]-1-(2,4-dihydroxyphenyl)propan-1-one
|
410.50
|
5.7
|
3
|
5
|
86.99
|
4
|
|
|
methyl (4S,5E,6S)-5-ethylidene-4-[2-[[(2R,3S,4S,5R,6R)-6-[2-[4-[2-[(2S,3E,4S)-3-ethylidene-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-4-yl]acetyl]oxyphenyl]ethoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-2-oxoethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
|
1073.00
|
-3.9
|
11
|
27
|
401.57
|
23
|
|
|
6-O-Methacryloyltrilobolide
|
450.50
|
2.2
|
1
|
9
|
125.43
|
7
|
|
|
(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-17-[(2S)-2-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-methylhept-5-en-2-yl]-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
933.10
|
1.1
|
12
|
18
|
298.14
|
13
|
|
|
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-17-[(2S)-2-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-methylhept-5-en-2-yl]-6,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
1095.30
|
-0.5
|
15
|
23
|
377.29
|
16
|
|
|
Allylpyrocatechol monoacetate
|
192.21
|
2.4
|
1
|
3
|
46.53
|
4
|
|
|
(3E,3aR,4R,8bR)-4-hydroxy-8,8-dimethyl-3-[[(2R)-4-methyl-5-oxo-2H-furan-2-yl]oxymethylidene]-4,5,6,8b-tetrahydro-3aH-indeno[1,2-b]furan-2,7-dione
|
360.40
|
0
|
1
|
7
|
99.13
|
2
|
|
|
Plastoquinone-1
|
204.26
|
3.4
|
0
|
2
|
34.14
|
2
|
|
|
(+/-)-Isocorypalmine
|
341.40
|
2.9
|
1
|
5
|
51.16
|
3
|
|
|
2,5-dihydroxy-6-[(E)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-enylidene]-2,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]cyclohex-4-ene-1,3-dione
|
644.50
|
-2.9
|
12
|
18
|
313.82
|
8
|
|
|
2,6-Di-t-butyl-4-hydroxytoluene
|
220.35
|
5.3
|
1
|
1
|
20.23
|
2
|
|
|
Neopanaxadiol
|
460.70
|
7.2
|
3
|
3
|
60.69
|
4
|
|
|
[(2S,3S,4S,5R,6S)-6-[(2R)-2,3-di(hexadecanoyloxy)propoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid
|
795.10
|
11.5
|
4
|
12
|
194.5
|
38
|
|
|
[(2S,3S,4S,5R,6S)-6-[(2R)-3-hexadecanoyloxy-2-hydroxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid
|
556.70
|
3.6
|
5
|
11
|
188.43
|
22
|
|
|
CID 10220146
|
224.30
|
0
|
2
|
3
|
57.53
|
1
|
|
|
(1S,2R,4S,6S)-2,4-dihydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadec-9-en-8-one
|
277.36
|
0.5
|
2
|
4
|
60.77
|
0
|
|
|
2,3-dihydroxy-N-(2-phenylethyl)nona-6,8-diynamide
|
285.34
|
1.6
|
3
|
3
|
69.56
|
8
|
|
|
1,2,5,6,7,11c-Hexahydroindolizino[7,8-b]indol-3-one
|
226.27
|
1.5
|
1
|
1
|
36.1
|
0
|
|
|
Azuleno[6,5-b]furan-2,7-dione, 3,5,8-trimethyl-
|
240.25
|
1.1
|
0
|
3
|
47.28
|
0
|
|
|
8-[(2R,3S)-3-hept-6-enyloxiran-2-yl]octa-4,6-diyn-3-one
|
258.35
|
4.4
|
0
|
2
|
29.6
|
9
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[(2R)-4-[(1S,2S,4S,6R,7S,8R,9S,12S,13R,14R,16R)-6,16-dihydroxy-7,9,13-trimethyl-14-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-6-yl]-2-methylbutoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
919.10
|
-0.6
|
12
|
19
|
307.37
|
12
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[(2R)-4-[(1S,2S,4S,6S,7S,8R,9S,12S,13R,14R,16R)-6,16-dihydroxy-7,9,13-trimethyl-14-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-6-yl]-2-methylbutoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
919.10
|
-0.6
|
12
|
19
|
307.37
|
12
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R)-4-[(1S,2S,4S,8S,9S,12S,13R,14R,16R)-16-hydroxy-7,9,13-trimethyl-14-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-6,18-dien-6-yl]-2-methylbutoxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
901.00
|
-0.4
|
11
|
18
|
287.14
|
12
|
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