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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Gossypetin 3,7,3'-trimethyl ether
|
360.30
|
2.8
|
3
|
8
|
118.59
|
4
|
|
|
3'-Hydroxy-3,5,6,7,8,4',5'-heptamethoxyflavone
|
448.40
|
2.8
|
1
|
10
|
115.05
|
8
|
|
|
6-(4-Hydroxy-2-methyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4-methoxypyran-2-one
|
410.40
|
0
|
5
|
10
|
159.05
|
5
|
|
|
7-[3,5-Dihydroxy-6-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5,8-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one
|
610.50
|
-0.7
|
10
|
16
|
269.43
|
6
|
|
|
7-Hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
492.40
|
0.3
|
6
|
12
|
188.51
|
6
|
|
|
Tricin 7-O-glucoside
|
492.40
|
0.8
|
6
|
12
|
188.51
|
6
|
|
|
Glucotricin
|
492.40
|
0.8
|
6
|
12
|
188.51
|
6
|
|
|
Selina-4(15),7(11)-dien-8-one
|
218.33
|
3.8
|
0
|
1
|
17.07
|
0
|
|
|
Zeanoside C
|
385.32
|
-2.1
|
7
|
10
|
186.01
|
5
|
|
|
CID 13988327
|
367.31
|
-1.6
|
6
|
9
|
169.54
|
4
|
|
|
2,8-Dihydroxy-4-quinolinecarboxylic acid
|
205.17
|
0.2
|
3
|
4
|
90.39
|
1
|
|
|
(2S)-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]chroman-6-ol
|
396.60
|
8.6
|
1
|
2
|
29.46
|
9
|
|
|
[(3S,4aR,6aS,6bR,8aR,12aR,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a-dodecahydropicen-3-yl] acetate
|
466.70
|
9.4
|
0
|
2
|
26.3
|
2
|
|
|
[(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
|
456.70
|
10
|
0
|
2
|
26.3
|
7
|
|
|
[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylhept-6-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
|
454.70
|
9.8
|
0
|
2
|
26.3
|
8
|
|
|
[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylhept-6-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
|
454.70
|
9.8
|
0
|
2
|
26.3
|
8
|
|
|
22-Dehydroclerosteryl acetate
|
452.70
|
9.2
|
0
|
2
|
26.3
|
7
|
|
|
Stigmastanol acetate
|
458.80
|
10.7
|
0
|
2
|
26.3
|
8
|
|
|
Hypoletin 8-gentiobioside
|
626.50
|
-2
|
11
|
17
|
289.66
|
7
|
|
|
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
464.40
|
0.2
|
8
|
12
|
210.51
|
4
|
|
|
(2S)-2-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2,3-dihydrochromen-4-one
|
328.30
|
2.7
|
0
|
6
|
63.22
|
3
|
|
|
Dehydrogliotoxin
|
324.40
|
0.5
|
2
|
6
|
131.68
|
1
|
|
|
Bis(trimethylsilyl) 2,4-bis(4-trimethylsilyloxyphenyl)cyclobutane-1,3-dicarboxylate
|
617.00
|
|
0
|
6
|
71.06
|
12
|
|
|
4,5-Dihydroxy-2-piperidinecarboxylic acid
|
161.16
|
-4
|
4
|
5
|
89.79
|
1
|
|
|
(2S,4R,5R)-4,5-dihydroxypiperidine-2-carboxylic acid
|
161.16
|
-4
|
4
|
5
|
89.79
|
1
|
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