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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(E)-2-methyl-5-[(1S,2R,4R)-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl]pent-2-enoic acid
|
234.33
|
4
|
1
|
2
|
37.3
|
4
|
|
|
(3R,5R)-1,7-diphenylheptane-3,5-diol
|
284.40
|
4
|
2
|
2
|
40.46
|
8
|
|
|
9,10-Anthracenedione, 1,6-dihydroxy-5-methoxy-2-(methoxymethyl)-
|
314.29
|
2.3
|
2
|
6
|
93.06
|
3
|
|
|
Homocapsaicin II
|
319.40
|
4.1
|
2
|
3
|
58.56
|
10
|
|
|
2,5-Dihydro-6-hydroxy-3-methyl-8-(2-phenylethyl)-1-benzoxepin-9-carboxylic acid
|
324.40
|
3.9
|
2
|
4
|
66.76
|
4
|
|
|
3,3a(2),4a(2)-Tri-O-methylellagic acid
|
344.30
|
2.1
|
1
|
8
|
108.34
|
3
|
|
|
2,2,3,3-Tetramethylbutane
|
114.23
|
3.7
|
0
|
0
|
0
|
1
|
|
|
Isopentenyl-Adenine-9-glucoside
|
365.38
|
0.5
|
5
|
9
|
145.78
|
5
|
|
|
(3E,4S)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methylidene]oxolan-2-one
|
370.40
|
3.6
|
1
|
6
|
74.22
|
6
|
|
|
4-[[(2S,3S,6R)-3-hydroxy-6-(2-hydroxypropan-2-yl)-3-methyloxan-2-yl]methoxy]furo[3,2-g]chromen-7-one
|
388.40
|
2.3
|
2
|
7
|
102.27
|
4
|
|
|
Dichotomain B
|
468.40
|
-2
|
5
|
12
|
181.44
|
3
|
|
|
Calocedimers B
|
490.80
|
10.8
|
0
|
1
|
9.23
|
4
|
|
|
(2S)-8-[(2R,3S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
|
556.50
|
4.9
|
5
|
10
|
162.98
|
4
|
|
|
Gallomyrtucommulone D
|
568.60
|
0.8
|
7
|
13
|
220.51
|
7
|
|
|
kaempferol 7-O-(2-E-p-coumaroyl-alpha-L-rhamnopyranoside)
|
578.50
|
3.5
|
6
|
12
|
196.35
|
7
|
|
|
Myrtucommulone E
|
632.80
|
7.9
|
1
|
8
|
124.04
|
4
|
|
|
(3R,4R)-3-hydroxy-3-[[4-hydroxy-3-[2-hydroxy-5-[[(3R,4R)-4-hydroxy-4-[(4-hydroxy-3-methoxyphenyl)methyl]-5-oxooxolan-3-yl]methyl]-3-methoxyphenyl]-5-methoxyphenyl]methyl]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
|
746.80
|
4.7
|
6
|
14
|
210.9
|
13
|
|
|
[(3S,4R,5R)-3,4-dihydroxy-5-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-(3-hydroxy-4-methoxyphenyl)-5,6-dimethoxy-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]oxolan-3-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
784.70
|
0.6
|
7
|
18
|
262.73
|
14
|
|
|
[4-[(2S,3S,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-methoxyoxan-2-yl]-3,5-dihydroxyphenyl]methyl 4-hydroxy-3,5-dimethoxybenzoate
|
820.70
|
-3
|
12
|
22
|
342.9
|
15
|
|
|
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1091.20
|
-0.3
|
14
|
23
|
374.13
|
13
|
|
|
Ginsenoside Rd
|
947.20
|
2.4
|
12
|
18
|
298.14
|
13
|
|
|
3-[(3S,5R,10S,13R,14S,17R)-3-[(2R,5S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14,16-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
|
550.70
|
1.3
|
4
|
9
|
134.91
|
4
|
|
|
15-Hexadecenoic acid
|
254.41
|
6.6
|
1
|
2
|
37.3
|
14
|
|
|
4-(5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)butan-2-one
|
262.40
|
4.8
|
0
|
1
|
17.07
|
3
|
|
|
6-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]-4-methoxypyran-2-one
|
274.27
|
2.4
|
1
|
5
|
68.9
|
4
|
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