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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Glycerol 1-(9Z-octadecenoate) 2-hexadecanoate 3-octadecanoate
|
861.40
|
23.2
|
0
|
6
|
78.9
|
53
|
|
|
Strophanthus acid
|
298.50
|
5.6
|
2
|
3
|
57.53
|
15
|
|
|
9-keto-11Z-octadecenoic acid
|
296.40
|
5.3
|
1
|
3
|
54.37
|
15
|
|
|
isourolithin B
|
212.20
|
2.7
|
1
|
3
|
50.44
|
0
|
|
|
(1R,4S,8R,9S,10R,13R,14S)-8-hydroxy-5,5,9,14-tetramethyl-7,15-dioxapentacyclo[11.3.1.01,10.04,9.014,16]heptadecan-6-one
|
320.40
|
3.2
|
1
|
4
|
59.06
|
0
|
|
|
(4'R)-11'-hydroxy-10'-methoxy-5'-azaspiro[cyclohexane-1,2'-tricyclo[6.3.1.04,12]dodecane]-'(12'),2,5,8',10'-pentaen-4-one
|
283.32
|
1.7
|
2
|
4
|
58.56
|
1
|
|
|
CID 131842452
|
828.00
|
3.2
|
4
|
13
|
163.63
|
9
|
|
|
(1S,2S,4S,5S,7R,8S,9R,10S,16R,28Z,33S,34S,36R,37R)-4,9,10,33-tetrahydroxy-1,8,13,29-tetramethyl-11,17,21,26,31-pentaoxadecacyclo[17.17.3.14,8.02,16.05,7.010,14.016,39.033,37.034,36.015,40]tetraconta-13,15(40),19(39),28-tetraene-12,18,22,25,30-pentone
|
734.70
|
-1.4
|
4
|
14
|
212.42
|
0
|
|
|
Sanggenofuran B
|
324.40
|
5.2
|
2
|
4
|
62.83
|
4
|
|
|
Salviaplebeiaside
|
462.40
|
0.6
|
5
|
10
|
162.98
|
9
|
|
|
Seco-neokadsuranic acid A
|
468.70
|
7.3
|
2
|
4
|
74.6
|
9
|
|
|
N-Methoxyanhydrovobasinediol
|
338.40
|
3
|
0
|
3
|
26.63
|
1
|
|
|
(3R)-3-[(4-hydroxyphenyl)methylsulfanylmethyl]piperazine-2,5-dione
|
266.32
|
0.5
|
3
|
4
|
103.73
|
4
|
|
|
15,16-Epoxy-15-ethoxy-6beta,13-dihydroxylabd-8-en-7-one
|
380.50
|
3.3
|
2
|
5
|
75.99
|
5
|
|
|
methyl (S)-3-formyl-1H-indole-2-sulfinate
|
223.25
|
1.4
|
1
|
4
|
78.37
|
3
|
|
|
(2R,3S)-2-ethyl-3-heptyloxirane
|
170.29
|
4.3
|
0
|
1
|
12.53
|
7
|
|
|
5-[(1R)-1-[(1R,4R,6S,8aR)-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde
|
472.60
|
6.2
|
4
|
6
|
115.06
|
7
|
|
|
30-Oxopseudotaraxasterol
|
440.70
|
8.2
|
1
|
2
|
37.3
|
1
|
|
|
[(1R,2S,5R,6S)-6-acetyloxy-5-benzoyloxy-1,2-dihydroxycyclohex-3-en-1-yl]methyl benzoate
|
426.40
|
2.1
|
2
|
8
|
119.36
|
9
|
|
|
Sophoracarpan A
|
300.30
|
2.6
|
1
|
5
|
57.15
|
2
|
|
|
(2S,3R,4S,5S,6R)-2-[[(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
508.50
|
0
|
7
|
11
|
178.53
|
9
|
|
|
(2S)-N-[(2S)-1-[(1S,9S,10R,11S,12R)-1,12-dihydroxy-3,5-dimethoxy-9-(4-methoxyphenyl)-10-phenyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-11-carbonyl]pyrrolidin-2-yl]-2-methylbutanamide
|
630.70
|
4.2
|
3
|
8
|
126.79
|
9
|
|
|
Tetradecanedioic acid
|
258.35
|
4.3
|
2
|
4
|
74.6
|
13
|
|
|
methyl (1S,10S,12S,13E,18R)-18-(acetyloxymethyl)-13-ethylidene-8,15-diazapentacyclo[10.5.1.01,9.02,7.010,15]octadeca-2,4,6,8-tetraene-18-carboxylate
|
394.50
|
1.5
|
0
|
6
|
68.2
|
5
|
|
|
(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-methyl-2,3-dihydrochromen-4-one
|
318.28
|
1.8
|
5
|
7
|
127.45
|
1
|
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