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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
|
479.40
|
-3.9
|
9
|
14
|
250.3
|
10
|
|
|
[(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (2S)-2-amino-3-(1H-indol-3-yl)propanoate
|
528.50
|
-2.1
|
9
|
13
|
237.41
|
10
|
|
|
[(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 2-aminoacetate
|
399.35
|
-4
|
8
|
13
|
221.62
|
8
|
|
|
methyl (2R)-2-acetyloxy-2-[(1R,2S,4S,5S,6S,10R,11R,12R,13R,14R,15R,17S,18S)-12,14-diacetyloxy-6-(furan-3-yl)-2,4,11,17-tetrahydroxy-1,5,15-trimethyl-8-oxo-7-oxapentacyclo[13.2.1.02,11.05,10.013,17]octadecan-18-yl]acetate
|
678.70
|
-0.3
|
4
|
15
|
225.56
|
10
|
|
|
methyl (2R)-2-hydroxy-2-[(1S,2R,4S,5S,6S,10R,11S,12R,13R,14R,15R,17S,18S)-4,12,14-triacetyloxy-6-(furan-3-yl)-11,17-dihydroxy-1,5,15-trimethyl-8-oxo-7-oxapentacyclo[13.2.1.02,11.05,10.013,17]octadecan-18-yl]acetate
|
662.70
|
0.8
|
3
|
14
|
205.33
|
10
|
|
|
(1S,4aR,6aR,6aS,6bR,8aR,12aR,14bS)-1-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid
|
470.70
|
5.8
|
2
|
4
|
74.6
|
1
|
|
|
(1S,5R,6R)-5-[(2R)-2-hydroxybutan-2-yl]-2-methyl-6-(2-methylprop-1-enyl)cyclohex-2-en-1-ol
|
238.37
|
2.7
|
2
|
2
|
40.46
|
3
|
|
|
Fetidone B
|
234.33
|
2.3
|
1
|
2
|
37.3
|
0
|
|
|
leucasperones A
|
478.60
|
1.9
|
1
|
8
|
116.2
|
11
|
|
|
Atropuroside B
|
740.90
|
-0.1
|
8
|
14
|
217.22
|
4
|
|
|
Leucasperone B
|
436.50
|
1.3
|
2
|
7
|
110.13
|
9
|
|
|
CID 11844109
|
352.50
|
1.8
|
2
|
5
|
75.99
|
0
|
|
|
Leucasperoside A
|
788.90
|
-0.8
|
10
|
17
|
274.75
|
10
|
|
|
leucasperoside B
|
626.70
|
1.4
|
7
|
12
|
195.6
|
7
|
|
|
Leucasperoside C
|
772.90
|
-0.3
|
9
|
16
|
254.52
|
9
|
|
|
Atropuroside E
|
622.70
|
0.5
|
7
|
11
|
178.53
|
3
|
|
|
Atropuroside G
|
770.90
|
0.2
|
9
|
15
|
237.45
|
10
|
|
|
[(2S,3R,4R,5S,6S)-2-[3,5-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] 2-methylpropanoate
|
502.50
|
2.8
|
5
|
11
|
176.12
|
6
|
|
|
[(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 2-methylpropanoate
|
664.60
|
0.7
|
8
|
16
|
255.27
|
9
|
|
|
2-[(1R,3aR,5aR,5bR,7aR,11aR,11bR,13aR,13bS)-3a,5a,5b,8,8,11a-hexamethyl-9-oxo-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-1-yl]prop-2-enal
|
438.70
|
8.2
|
0
|
2
|
34.14
|
2
|
|
|
Psoracorylifol A
|
288.40
|
3.9
|
2
|
3
|
49.69
|
4
|
|
|
(2R,3R)-2-(4-hydroxyphenyl)-8-[(2S,3S,4S)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
|
546.50
|
3.1
|
8
|
10
|
180.3
|
3
|
|
|
2,4-Heptadienol
|
112.17
|
1.5
|
1
|
1
|
20.23
|
3
|
|
|
Galactitol
|
182.17
|
-3.1
|
6
|
6
|
121.38
|
5
|
|
|
Pacharin
|
270.28
|
3.6
|
2
|
4
|
58.92
|
1
|
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