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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2R,3S)-2-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3,4-dihydro-2H-chromene-3,5,7-triol
|
452.40
|
-1.4
|
8
|
11
|
189.53
|
4
|
|
|
3,5,7-Trihydroxy-2-[4-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydrochromen-4-one
|
466.40
|
-0.3
|
8
|
12
|
206.6
|
4
|
|
|
Taxifolin 3'-glucoside
|
466.40
|
-0.3
|
8
|
12
|
206.6
|
4
|
|
|
Taxifolin 7-glucoside
|
466.40
|
-0.3
|
8
|
12
|
206.6
|
4
|
|
|
1-[2,4-Dihydroxy-6-methoxy-3,5-bis(3-methyl-2-butenyl)phenyl]ethanone
|
318.40
|
5.3
|
2
|
4
|
66.76
|
6
|
|
|
7,7'-Dimethoxy-8,8'-bicoumarin
|
350.30
|
3.5
|
0
|
6
|
78.88
|
3
|
|
|
5,5'-Diallyl-2,2'-biphenyldiol diacetate
|
350.40
|
5.2
|
0
|
4
|
52.6
|
9
|
|
|
Pumilaisoflavone C
|
466.50
|
6.5
|
3
|
7
|
109.36
|
7
|
|
|
Pumilaisoflavone D
|
396.40
|
3.9
|
2
|
7
|
98.36
|
3
|
|
|
(1S,2R,7S,9R,11S,12S,15R,16S)-2,16-dimethyl-15-[(1R,4R,5R)-1-methyl-8-methylidene-7-oxo-2,6-dioxabicyclo[3.3.1]nonan-4-yl]-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one
|
452.60
|
4.6
|
0
|
5
|
65.13
|
1
|
|
|
(1R,5R,8R)-8-[(6R,8S,9S,10R,13S,14S,17R)-6-hydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-5-methyl-4-methylidene-2,6-dioxabicyclo[3.3.1]nonan-3-one
|
452.60
|
4.2
|
1
|
5
|
72.83
|
1
|
|
|
A'-Neo-22,29,30-trinorgammacerane
|
370.70
|
10.4
|
0
|
0
|
0
|
0
|
|
|
A'-Neo-22,29,30-trinorgammacerane, (17alpha)-
|
370.70
|
10.4
|
0
|
0
|
0
|
0
|
|
|
(+)-Zeylenol
|
384.40
|
1.5
|
3
|
7
|
113.29
|
7
|
|
|
5-Cyclohexene-1,2,3,4-tetrol, 2-[(benzoyloxy)methyl]-, 4-benzoate, (1R,2S,3R,4S)-
|
384.40
|
1.5
|
3
|
7
|
113.29
|
7
|
|
|
[(1S,4R,5R,6R)-4-benzoyloxy-5,6-dihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-yl] benzoate
|
384.40
|
2.1
|
3
|
7
|
113.29
|
7
|
|
|
[(1R,2R,5S,6R)-2,5-dibenzoyloxy-1,6-dihydroxycyclohex-3-en-1-yl]methyl benzoate
|
488.50
|
3.8
|
2
|
8
|
119.36
|
10
|
|
|
[(1R,2R,3S,6S)-3-benzoyloxy-2-hydroxy-7-oxabicyclo[4.1.0]hept-4-en-1-yl]methyl benzoate
|
366.40
|
2.5
|
1
|
6
|
85.36
|
7
|
|
|
9,10-Dimethoxy-2-methylanthracene-1,4-dione
|
282.29
|
3
|
0
|
4
|
52.6
|
2
|
|
|
[6-[[3,4-Dihydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] 10-[4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1221.40
|
-1.2
|
15
|
26
|
412.82
|
14
|
|
|
[6-[[3,4-Dihydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] 10-[4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6a,6b,9,9,12a-pentamethyl-2-methylidene-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1205.30
|
-2.5
|
15
|
26
|
412.82
|
14
|
|
|
[6-[[3,4-Dihydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] 10-[4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-2-(hydroxymethyl)-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1221.40
|
-2.3
|
15
|
26
|
412.82
|
14
|
|
|
[6-[[6-(Acetyloxymethyl)-3,4-dihydroxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] 2-(hydroxymethyl)-2,6a,6b,9,9,12a-hexamethyl-10-(3,4,5-trihydroxyoxan-2-yl)oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1117.30
|
-0.7
|
12
|
23
|
359.97
|
14
|
|
|
[6-[[6-(Acetyloxymethyl)-3,4-dihydroxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] 10-[4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(hydroxymethyl)-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1279.40
|
-2.2
|
15
|
28
|
439.12
|
17
|
|
|
(5S,5aR,8aR)-4-methoxy-5-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one
|
428.40
|
3.3
|
0
|
8
|
81.68
|
5
|
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