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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2S)-8-[(2S)-2-hydroxy-3-methylbut-3-enyl]-5,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one
|
368.40
|
3.7
|
1
|
5
|
64.99
|
6
|
|
|
(5aS,8aS,9R)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-[2]benzofuro[5,6-f][1,3]benzodioxole-5,8-dione
|
412.40
|
2.5
|
0
|
8
|
89.52
|
4
|
|
|
(5R,5aR,8aR,9S)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
|
414.40
|
2
|
1
|
8
|
92.68
|
4
|
|
|
(3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-3,5,7,9,11,13,15,17-octaen-2-one
|
430.70
|
9.6
|
0
|
1
|
17.07
|
9
|
|
|
(22R,23R)-22,23-Dihydroxycampesterol
|
432.70
|
6.5
|
3
|
3
|
60.69
|
5
|
|
|
(2S,3R,4S,5S,6R)-2-(4-hydroxy-3-methoxyphenoxy)-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
|
434.40
|
-2.7
|
7
|
12
|
187.76
|
6
|
|
|
[(3aR,4S,6aR,8S,9R,9aS,9bS)-8,9-dihydroxy-4-[2-(hydroxymethyl)prop-2-enoyloxy]-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[8,7-b]furan-9-yl]methyl 2-(hydroxymethyl)prop-2-enoate
|
464.50
|
-0.6
|
4
|
10
|
159.82
|
9
|
|
|
Sandorinic acid C
|
470.70
|
5.7
|
2
|
4
|
74.6
|
1
|
|
|
(4e)-1,5-Bis(4-hydroxyphenyl)-1-[(2e)-3-(4-acetoxyphenyl)-2-propenoxy]-2-(methoxymethyl)-4-pentene
|
488.60
|
5.5
|
2
|
6
|
85.22
|
13
|
|
|
Phyllaemblicin D
|
494.50
|
-3.6
|
8
|
13
|
215.83
|
6
|
|
|
Withanolide S
|
504.60
|
0.8
|
5
|
8
|
144.52
|
2
|
|
|
(2R,6R)-methyl 6-((3R,3aR,5aS,6S,7S,9bR)-6-(3-methoxy-3-oxopropyl)-3a,6,9b-trimethyl-7-(prop-1-en-2-yl)-2,3,3a,4,5,5a,6,7,8,9b-decahydro-1H-cyclopenta[a]naphthalen-3-yl)-2-methyl-4-oxoheptanoate
|
514.70
|
7.1
|
0
|
5
|
69.67
|
12
|
|
|
Jasmolactone B
|
516.50
|
1.9
|
5
|
11
|
172.21
|
9
|
|
|
[(1S,4aS,5R,7S,7aS)-4a,5-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate
|
524.50
|
-0.6
|
6
|
12
|
184.6
|
8
|
|
|
Super Squalene; trans-Squalene;AddaVax
|
410.70
|
11.6
|
0
|
0
|
0
|
15
|
|
|
Phenalen-1-one
|
180.20
|
3.2
|
0
|
1
|
17.07
|
0
|
|
|
(25r)-5alpha-spirostan-3beta-ol 3-O-beta-d-galactopyranoside
|
578.80
|
4.9
|
4
|
8
|
117.84
|
3
|
|
|
1,1'-[1,12-Dodecanediylbis(oxy)]bisbenzene
|
354.50
|
8.2
|
0
|
2
|
18.46
|
15
|
|
|
[(2R,3S,4S,5R,6R)-6-[[(2R,3S,4S,5R,6S)-6-(6,7-dioxochromeno[4,3-b]chromen-4-yl)oxy-3,4-dihydroxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
|
956.80
|
-0.8
|
9
|
23
|
342.63
|
14
|
|
|
methyl (4S,5E,6S)-4-[2-[[(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-5-hydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-2-oxoethyl]-5-ethylidene-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
|
1010.90
|
-1.7
|
12
|
25
|
386.27
|
20
|
|
|
Tieghemelin
|
1253.30
|
-3.5
|
17
|
29
|
470.35
|
13
|
|
|
(2R,3S)-2,3-Diaminobutanoic acid
|
118.13
|
-3.2
|
3
|
4
|
89.34
|
2
|
|
|
(-)-Sabinene
|
136.23
|
3.1
|
0
|
0
|
0
|
1
|
|
|
cis-3-Butyl-4-vinyl-cyclopentene
|
150.26
|
4.2
|
0
|
0
|
0
|
4
|
|
|
Ethyl 2-deuteriooctanoate
|
173.27
|
3.5
|
0
|
2
|
26.3
|
8
|
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