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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
2-Ethyl-2,3-epoxypropanol
|
102.13
|
-0.1
|
1
|
2
|
32.76
|
2
|
|
|
2-Ethyl-2-hydroxyhex-5-enol
|
144.21
|
1.1
|
2
|
2
|
40.46
|
5
|
|
|
3,3,5,7b-tetramethyl-1a,2,4,6,7,7a-hexahydro-1H-cyclopropa[e]azulene
|
204.35
|
4.2
|
0
|
0
|
0
|
0
|
|
|
7-Hydroxynaphtho[3,2-g][1,3]benzodioxole-6,11-dione
|
268.22
|
3.3
|
1
|
5
|
72.83
|
0
|
|
|
[(10R,11R,12R,13R,15R)-3,4,5,12,21,22,23-heptahydroxy-8,18-dioxo-13-(3,4,5-trihydroxybenzoyl)oxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-11-yl] 3,4,5-trihydroxybenzoate
|
786.60
|
1.2
|
13
|
22
|
377.42
|
6
|
|
|
(8R,21S)-27-methoxy-7,22-dimethyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.216,19.14,30.110,14.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),10(37),11,13,16,18,25,27,32,35-dodecaen-13-ol
|
562.70
|
6
|
1
|
7
|
63.63
|
1
|
|
|
9,11-Eremophiladien-8-one
|
218.33
|
4.2
|
0
|
1
|
17.07
|
1
|
|
|
(3S,4aR,5S)-4a,5-dimethyl-3-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one
|
218.33
|
4.2
|
0
|
1
|
17.07
|
1
|
|
|
(2S,3R,4S,5S,6R)-2-(4,8-dihydroxy-3-methylnaphthalen-1-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
352.30
|
0.7
|
6
|
8
|
139.84
|
3
|
|
|
5,7-Dihydroxy-6-methoxy-2,8-dimethyl-4H-1-benzopyran-4-one
|
236.22
|
2.1
|
2
|
5
|
79.9
|
1
|
|
|
5,7-dimethoxy-8-methyl-2-phenyl-3,4-dihydro-2H-chromen-4-ol
|
300.30
|
3
|
1
|
4
|
47.92
|
3
|
|
|
(3S,4S)-4-[(Z)-1-Carboxy-3-[[(1R,19R,21S,22R,23R)-6,7,8,11,12,13,22-heptahydroxy-3,16-dioxo-21-(3,4,5-trihydroxybenzoyl)oxy-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaen-23-yl]oxy]-3-oxoprop-1-en-2-yl]-5,6,7-trihydroxy-1-oxo-3,4-dihydroisochromene-3-carboxylic acid
|
970.70
|
0.3
|
15
|
28
|
478.32
|
9
|
|
|
Neochebulagic acid
|
972.70
|
0
|
15
|
28
|
478.32
|
10
|
|
|
6-hydroxy-5-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
|
354.31
|
-0.5
|
5
|
9
|
149.82
|
3
|
|
|
2-Methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydropyran-6-one
|
290.27
|
-1.3
|
4
|
8
|
125.68
|
3
|
|
|
Milletenin C
|
326.30
|
2.9
|
0
|
6
|
67.13
|
3
|
|
|
3,5,7,3',4'-Pentahydroxy-6,8-dimethoxyflavone
|
362.30
|
2.1
|
5
|
9
|
149.82
|
3
|
|
|
Pongagallone A
|
352.40
|
5.5
|
1
|
4
|
55.76
|
7
|
|
|
Pongagallone B
|
396.40
|
5.4
|
1
|
6
|
74.22
|
7
|
|
|
(1S,3R,4S,6S,7S,9S)-4,6-dibromo-3-ethyl-9-[(E)-pent-2-en-4-ynyl]-2,8-dioxabicyclo[5.2.1]decane
|
392.13
|
4.2
|
0
|
2
|
18.46
|
3
|
|
|
2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one
|
610.50
|
-0.9
|
10
|
16
|
269.43
|
6
|
|
|
7-Methoxyphenanthrene-2,5-diol
|
240.25
|
3.7
|
2
|
3
|
49.69
|
1
|
|
|
5,6,2'-Trimethoxyflavone
|
312.30
|
3.1
|
0
|
5
|
57.9
|
4
|
|
|
5-Hydroxy-6,2'-dimethoxyflavone
|
298.29
|
3.3
|
1
|
5
|
68.9
|
3
|
|
|
Taraxasterone
|
424.70
|
8.8
|
0
|
1
|
17.07
|
0
|
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