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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Costaricine
|
582.70
|
5.4
|
4
|
8
|
101.44
|
9
|
|
|
Indan
|
118.18
|
3.2
|
0
|
0
|
0
|
0
|
|
|
(2S)-4-[(15S)-15-hydroxy-15-[(2S,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]pentadecyl]-2-methyl-2H-furan-5-one
|
592.90
|
12.9
|
2
|
5
|
75.99
|
28
|
|
|
4-[2,11-Dihydroxy-11-[5-[5-(1-hydroxyundecyl)oxolan-2-yl]oxolan-2-yl]undecyl]-2-methyl-2H-furan-5-one
|
594.90
|
8.6
|
3
|
7
|
105.45
|
23
|
|
|
N-[(1S,3R,6S,7S,8R,11S,12S,15S,16R)-15-[(1S)-1-(dimethylamino)ethyl]-7-(hydroxymethyl)-7,12,16-trimethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-4-hydroxy-3,5-dimethoxy-N-methylbenzamide
|
596.80
|
7
|
2
|
6
|
82.47
|
7
|
|
|
Javoricin
|
596.90
|
8.8
|
4
|
7
|
116.45
|
26
|
|
|
Woorenoside II
|
606.60
|
1.2
|
4
|
13
|
171.83
|
13
|
|
|
(4S)-1-[(3R,4As,5R,6S)-5-ethenyl-1-oxo-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]-4-hydroxy-8-(4-hydroxyphenyl)octane-2,6-dione
|
606.60
|
-0.7
|
6
|
13
|
209.51
|
13
|
|
|
7-O-Methylrutin
|
624.50
|
-1
|
9
|
16
|
258.43
|
7
|
|
|
Lyciumoside I
|
630.80
|
2
|
8
|
12
|
198.76
|
17
|
|
|
3''-O-methylcrenatoside
|
636.60
|
-0.3
|
7
|
15
|
223.29
|
9
|
|
|
3,5,7,15-Tetraacetoxy-9-nicotinoyloxy-6(17),11-jatrophadien-14-one
|
641.70
|
4
|
0
|
12
|
161.46
|
11
|
|
|
[(2S,4R,5R,5aS,6S,8S,9R,9aR,10S,10aS)-2,4,5,8,10-pentaacetyloxy-10a-(2-hydroxypropan-2-yl)-3,5a-dimethylspiro[2,4,5,6,7,8,9a,10-octahydro-1H-benzo[f]azulene-9,2'-oxirane]-6-yl] acetate
|
652.70
|
0.3
|
1
|
14
|
190.56
|
13
|
|
|
CID 10326969
|
654.60
|
7.2
|
6
|
12
|
208.12
|
5
|
|
|
quadranoside V
|
664.80
|
1.7
|
8
|
11
|
197.37
|
5
|
|
|
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2R,4aR,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-10,11-dihydroxy-2,9-bis(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
666.80
|
2.4
|
8
|
11
|
197.37
|
6
|
|
|
orthosiphol F
|
676.70
|
5.3
|
2
|
11
|
162.73
|
11
|
|
|
calyxin I
|
686.70
|
7.4
|
5
|
9
|
145.91
|
9
|
|
|
Bismahanine
|
692.90
|
12.2
|
4
|
4
|
90.5
|
7
|
|
|
[(2S,3S,4S)-2-(3,4-dihydroxyphenyl)-4-[(2S,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
|
730.60
|
3.5
|
12
|
16
|
287.52
|
6
|
|
|
methyl (1S,4S,5R,6S,7R,8S,10S,14S,15S,16R,18S,19R,22R,23R,25S,26S)-23-acetyloxy-7,14-dihydroxy-4-methoxy-6,16,22-trimethyl-25-[(E)-3-phenylprop-2-enoyl]oxy-3,9,11,17,20-pentaoxaoctacyclo[17.6.1.18,15.01,5.06,18.07,16.010,14.022,26]heptacos-12-ene-4-carboxylate
|
738.80
|
1.8
|
2
|
14
|
174.74
|
9
|
|
|
Quercetin-3-neohesperidoside-7-rhamnoside
|
756.70
|
-2
|
12
|
20
|
328.35
|
8
|
|
|
cyclo[Ala-Phe-Pro-Gly-Leu-His-Phe]
|
769.90
|
2.4
|
7
|
8
|
223.59
|
8
|
|
|
[(2R,3R,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-5-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
770.70
|
-1.7
|
10
|
19
|
293.21
|
14
|
|
|
2-(3,4-dihydroxyphenyl)-3-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5,7-dihydroxychromen-4-one
|
772.70
|
-2.9
|
13
|
21
|
348.58
|
9
|
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