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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Nigroxanthin
|
566.90
|
11.2
|
2
|
2
|
40.46
|
10
|
|
|
Sanchinoside B1
|
638.90
|
4.2
|
7
|
9
|
160.07
|
7
|
|
|
Isoscoparin 2''-(6-(E)-feruloylglucoside) 4'-glucoside
|
962.90
|
-1.5
|
13
|
24
|
384.11
|
15
|
|
|
2,10-Bisaboladiene-1,4-diol
|
238.37
|
3
|
2
|
2
|
40.46
|
4
|
|
|
Jubanine C
|
665.80
|
5.4
|
3
|
6
|
120.08
|
9
|
|
|
Terniflorin
|
578.50
|
2.6
|
6
|
12
|
196.35
|
8
|
|
|
Menthoside
|
740.70
|
0.7
|
9
|
17
|
275.5
|
10
|
|
|
(1,16,17,18,21,22,23,34,35,39,39-Undecahydroxy-2,5,13,26,31-pentaoxo-6,9,12,27,30,40-hexaoxaoctacyclo[34.3.1.04,38.07,28.010,29.014,19.020,25.032,37]tetraconta-3,14,16,18,20,22,24,32,34,36-decaen-8-yl) 3,4,5-trihydroxybenzoate
|
952.60
|
-0.6
|
14
|
27
|
450.25
|
3
|
|
|
(-)-Epicatechin 6-C-glucoside
|
452.40
|
-1
|
9
|
11
|
200.53
|
3
|
|
|
(-)-Epicatechin 8-C-glucoside
|
452.40
|
-1
|
9
|
11
|
200.53
|
3
|
|
|
6-Glucopyranosylprocyanidin B2
|
740.70
|
-0.1
|
14
|
17
|
310.91
|
5
|
|
|
8-Galactopyranosyl-6-glucopyranosyl-4',5-dihydroxy-7-methoxyflavone
|
608.50
|
-1.9
|
10
|
15
|
260.2
|
6
|
|
|
[6-[2-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-6-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
770.70
|
0.3
|
10
|
18
|
295.73
|
11
|
|
|
Chrysoeriol 7-O-(6''-malonyl-glucoside)
|
548.40
|
0.6
|
6
|
14
|
222.65
|
9
|
|
|
2''-O-p-Coumaroylvitexin
|
578.50
|
2.5
|
7
|
12
|
207.35
|
7
|
|
|
2-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-6-(3-hydroxy-3-methylbutyl)-4H-1-benzopyran-4-one
|
372.40
|
1.9
|
5
|
7
|
131.36
|
4
|
|
|
6''-Caffeoylhyperin
|
626.50
|
1.8
|
9
|
15
|
257.04
|
8
|
|
|
5,8-Epoxy-5,8-dihydro-b,b-carotene-3,3'-diol
|
584.90
|
10
|
2
|
3
|
49.69
|
9
|
|
|
Artenolide
|
528.60
|
-0.1
|
4
|
8
|
133.52
|
0
|
|
|
19-Hydroxydeacetylnomilinic acid 17-beta-D-glucopyranoside
|
686.70
|
-2.4
|
9
|
16
|
277.41
|
11
|
|
|
oryzalide B
|
320.40
|
2.8
|
2
|
4
|
66.76
|
0
|
|
|
Oryzalic acid A
|
350.40
|
3.1
|
2
|
5
|
87.13
|
4
|
|
|
[2-[(E)-hex-3-enoyl]oxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] dodecanoate
|
694.80
|
2.2
|
7
|
15
|
231.13
|
25
|
|
|
(+)-1(9),10-Pacifigorgiadiene
|
204.35
|
4.9
|
0
|
0
|
0
|
1
|
|
|
(-)-1(6),10-Pacifigorgiadiene
|
204.35
|
4.4
|
0
|
0
|
0
|
1
|
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