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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2S)-4-[(2R,13R)-2,13-dihydroxy-13-[(2S,5S)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
|
580.90
|
10.3
|
3
|
6
|
96.22
|
26
|
|
|
[(3S,6R,8S,11R,12S,15S,16R,19S,21R)-19-hydroxy-3,7,7,11,16,20,20-heptamethyl-8-pentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-enyl] 3-(4-hydroxyphenyl)propanoate
|
590.90
|
9.7
|
2
|
4
|
66.76
|
5
|
|
|
(2R,3S,4S,5R,6S)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[4-[(2R,3S)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenoxy]oxane-3,4,5-triol
|
654.70
|
-1.5
|
8
|
15
|
226.45
|
13
|
|
|
methyl (1R,2S,3R,6R,8S,13S,14R,15R,16S,17S)-15,16-dihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,11-dioxo-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate
|
682.70
|
-0.9
|
6
|
16
|
245.04
|
8
|
|
|
Tephrosin
|
410.40
|
3
|
1
|
7
|
83.45
|
2
|
|
|
staminol C
|
692.70
|
4.3
|
3
|
12
|
182.96
|
11
|
|
|
Jacoline
|
369.40
|
-0.1
|
3
|
8
|
116.53
|
1
|
|
|
(6Z,9Z,17R)-17-hydroxy-N-[2-[5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1H-indol-3-yl]ethyl]octadeca-6,9-dienamide
|
778.90
|
2.4
|
10
|
13
|
243.65
|
23
|
|
|
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(1R,3R,5S,8S,9S,10S,13S,14S,16S,17R)-3-hydroxy-17-[(2S,3S)-3-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-16-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl]oxy]oxan-2-yl]methyl 3,4,5-trimethoxybenzoate
|
955.10
|
3.9
|
9
|
18
|
272.98
|
17
|
|
|
Tanshinone I
|
276.30
|
3.7
|
0
|
3
|
47.28
|
0
|
|
|
Kalopanaxsaponin B
|
1221.40
|
-2
|
15
|
26
|
412.82
|
14
|
|
|
(4R,4aS,5R,7aS)-5-hydroxy-4,7-bis(hydroxymethyl)-4,4a,5,7a-tetrahydro-1H-cyclopenta[c]pyran-3-one
|
214.21
|
-1.5
|
3
|
5
|
86.99
|
2
|
|
|
Kankanol
|
220.65
|
0
|
2
|
4
|
58.92
|
0
|
|
|
s-Dihydrodaidzein
|
256.25
|
2.4
|
2
|
4
|
66.76
|
1
|
|
|
(E)-1-(3,4-dimethoxyphenyl)oct-4-en-3-one
|
262.34
|
3.2
|
0
|
3
|
35.53
|
8
|
|
|
Sagittine A
|
302.50
|
5.5
|
1
|
2
|
37.3
|
2
|
|
|
(1S,3R,4S,9R,10R,13S,16R)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-3,16-diol
|
304.50
|
4.2
|
2
|
2
|
40.46
|
0
|
|
|
blumiolide-A
|
332.40
|
1.9
|
1
|
4
|
63.6
|
3
|
|
|
5,7-Dihydroxy-2-(4-methoxyphenyl)-4-oxochromene-6-sulfonic acid
|
364.30
|
1.4
|
3
|
8
|
142.65
|
3
|
|
|
5,6-Dihydrodibenzo(a,g)quinolizinium
|
232.30
|
3.9
|
0
|
0
|
3.88
|
0
|
|
|
GomisinR
|
400.40
|
3.9
|
1
|
7
|
75.61
|
2
|
|
|
2-Carboxyl-3,4'-dihydroxy-5-beta-d-xylo-pyranosyl-oxybibenzyl
|
406.40
|
1.4
|
6
|
9
|
156.91
|
6
|
|
|
methyl (1S,4aS,6S,7R,7aS)-6,7-dihydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
|
422.40
|
-3.1
|
7
|
12
|
195.6
|
6
|
|
|
[3-hydroxy-4-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 3,4-dihydroxybenzoate
|
438.40
|
0
|
7
|
11
|
186.37
|
7
|
|
|
1-(2,3-Dihydroxy-3-methylbutyl)-3,6,8-trihydroxy-2-methoxy-7-(3-methylbut-2-enyl)xanthen-9-one
|
444.50
|
3.9
|
5
|
8
|
140.59
|
6
|
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