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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
bis[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl] (2R)-2-[(2S,3R,4S,5R,6R)-4-acetyloxy-6-(acetyloxymethyl)-3,5-dihydroxyoxan-2-yl]oxy-2-(2-methylpropyl)butanedioate
|
972.90
|
-1.5
|
10
|
24
|
362.88
|
24
|
|
|
[(3R)-octan-3-yl] acetate
|
172.26
|
3.4
|
0
|
2
|
26.3
|
7
|
|
|
cis-alpha-Ambrinol
|
194.31
|
2.8
|
1
|
1
|
20.23
|
0
|
|
|
3,6-Dihydroxy-2-(3-methylbut-3-en-1-yn-1-yl)benzaldehyde
|
202.21
|
3
|
2
|
3
|
57.53
|
3
|
|
|
2-Methylheptane
|
114.23
|
4.3
|
0
|
0
|
0
|
4
|
|
|
Pentyl Undecanoate
|
256.42
|
6.5
|
0
|
2
|
26.3
|
14
|
|
|
Heptadec-16-en-12-ynoic acid
|
264.40
|
6
|
1
|
2
|
37.3
|
12
|
|
|
2,4,6-Trihydroxy-5-(3-methylbutanoyl)benzene-1,3-dicarbaldehyde
|
266.25
|
2.4
|
3
|
6
|
111.9
|
5
|
|
|
(3R,3aR,6S,6aS,9aS,9bR)-3,6a-dihydroxy-3-(hydroxymethyl)-6,9a-dimethyl-4,5,6,9b-tetrahydro-3aH-azuleno[8,7-b]furan-2,9-dione
|
296.31
|
0
|
3
|
6
|
104.06
|
1
|
|
|
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(1R,2S,4R,5R)-5-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]oxane-3,4,5-triol
|
332.39
|
-0.2
|
5
|
7
|
119.61
|
3
|
|
|
4-[(2S,3S)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenol
|
360.40
|
2.1
|
3
|
6
|
88.38
|
7
|
|
|
Glabrol
|
392.50
|
6
|
2
|
4
|
66.76
|
5
|
|
|
Sarcaglaboside C
|
410.50
|
0.7
|
4
|
8
|
125.68
|
6
|
|
|
1-Hexene
|
84.16
|
3.4
|
0
|
0
|
0
|
3
|
|
|
[(1E,3S,4R,6S,9R,11S)-3-acetyloxy-9-hydroxy-7,11,16,16-tetramethyl-10,14-dioxo-6-tricyclo[9.3.1.14,8]hexadeca-1,7,12-trienyl] acetate
|
430.50
|
1.7
|
1
|
7
|
106.97
|
4
|
|
|
Millewanin H
|
438.50
|
5.1
|
5
|
7
|
131.36
|
6
|
|
|
Glychionide A
|
446.40
|
1.1
|
6
|
11
|
187.12
|
4
|
|
|
methyl (4aR,5S,6R,6aR,7S,11aS,11bR)-5,6-diacetyloxy-4a-hydroxy-4,4,11b-trimethyl-1-oxo-2,3,5,6,6a,7,11,11a-octahydronaphtho[2,1-f][1]benzofuran-7-carboxylate
|
476.50
|
1.7
|
1
|
9
|
129.34
|
6
|
|
|
Sagittine E
|
504.70
|
5.2
|
1
|
7
|
91.29
|
9
|
|
|
Lancifodilactone K
|
526.60
|
1.4
|
1
|
9
|
125.43
|
1
|
|
|
[(1R,3S,4aS,6aR,6bS,8aR,12aR,14R,14aS,14bS)-14-ethoxy-1-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] acetate
|
528.80
|
8.5
|
1
|
4
|
55.76
|
4
|
|
|
[(1S,2R,3R,5R,7R,10S,11R,14R,15S)-15-[(2S,3S,5R)-5-[(1S)-1,2-dihydroxy-2-methylpropyl]-2-methoxyoxolan-3-yl]-3-hydroxy-2,6,6,10-tetramethyl-7-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl] 3-methylbut-2-enoate
|
602.80
|
6.8
|
3
|
7
|
105.45
|
7
|
|
|
CID 11599836
|
628.70
|
7.3
|
2
|
8
|
119.36
|
8
|
|
|
cyclo[Ala-Val-Thr-Pro-Gly-Leu-Asn]
|
652.70
|
-1.2
|
8
|
9
|
258.23
|
6
|
|
|
Hexa-2,4-diene
|
82.14
|
2.8
|
0
|
0
|
0
|
1
|
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