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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[4-[(Z)-3-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-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]oxy]-3-oxoprop-1-enyl]phenyl] octadecanoate
|
825.30
|
19.4
|
0
|
4
|
52.6
|
27
|
|
|
(e)-16-(3-(4-Hydroxyphenyl)acryloyloxy)hexadecanoic acid
|
418.60
|
7.8
|
2
|
5
|
83.83
|
19
|
|
|
(1Z,5R,6S)-5-hydroxy-3-methyl-6-phenyl-5,6-dihydro-3-benzazocin-4-one
|
279.30
|
2.6
|
1
|
2
|
40.54
|
1
|
|
|
Aristolochic acid d
|
357.30
|
3.2
|
2
|
8
|
128.36
|
2
|
|
|
(8E)-N-isobutyl-9-(3,4-methylenedioxyphenyl)nona-8-enamide
|
331.40
|
5.2
|
1
|
3
|
47.56
|
10
|
|
|
L-Seryl-L-lysine
|
233.27
|
-4
|
5
|
6
|
138.67
|
8
|
|
|
Nicotinic acid riboside
|
255.22
|
-0.5
|
3
|
6
|
113.93
|
2
|
|
|
D-ribosylnicotinic acid
|
256.23
|
-1.1
|
4
|
6
|
111.1
|
3
|
|
|
Chelirubine
|
362.40
|
4.4
|
0
|
5
|
50.03
|
1
|
|
|
[(11R,13S)-3,22-dimethoxy-13-methyl-12-methylidene-5,7,18,20-tetraoxapentacyclo[13.7.0.02,10.04,8.017,21]docosa-1(22),2,4(8),9,15,17(21)-hexaen-11-yl] benzoate
|
502.50
|
5.6
|
0
|
8
|
81.68
|
5
|
|
|
Leucodopachrome
|
195.17
|
0.9
|
4
|
5
|
89.79
|
1
|
|
|
Tectorigenin-7-O-beta-glucosyl-4'-O-beta-glucoside
|
624.50
|
-1
|
9
|
16
|
258.43
|
8
|
|
|
Oxodiscoguattine
|
335.30
|
3.3
|
0
|
6
|
66.88
|
2
|
|
|
2,4,3',5'-Tetrahydroxybibenzyl
|
246.26
|
2.7
|
4
|
4
|
80.92
|
3
|
|
|
methyl 2-(4-chloro-1H-indol-3-yl)acetate
|
223.65
|
2.5
|
1
|
2
|
42.09
|
3
|
|
|
dimethyl (2aR,3S,4S,4aR,5S,7aS,8R,10R,10aS,10bR)-10-acetoxy-3,5-dihydroxy-4-[(1aR,2S,3aS,6aS,7S,7aS)-6a-hydroxy-7a-methyl-3a,6a,7,7a-tetrahydro-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl]-4-methyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}octahydro-1H-naphtho[1,8a-c:4,5-b'c']difuran-5,10a(8H)-dicarboxylate
|
720.70
|
-0.6
|
3
|
16
|
215.34
|
10
|
|
|
Salvigenin
|
328.30
|
2.4
|
1
|
6
|
78.13
|
4
|
|
|
2-(4-methoxyphenyl)ethyl 6-O-a-L-arabinopyranosyl-b-D-glucopyranoside
|
446.40
|
-2.2
|
6
|
11
|
167.53
|
8
|
|
|
Secologanin
|
388.40
|
-1.6
|
4
|
10
|
151.98
|
8
|
|
|
(1R,4S,5R)-4-(3-hydroxyprop-1-en-2-yl)-1,8-dimethylspiro[4.5]dec-8-en-10-one
|
234.33
|
2.6
|
1
|
2
|
37.3
|
2
|
|
|
3-[(1S,2S,6S)-2-[2-[(1S,4aR,6S,8aS)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-1,3-dimethyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]propanoic acid
|
456.70
|
7.3
|
2
|
3
|
57.53
|
7
|
|
|
(3S,8aS)-3-[[(3R)-7,7-dimethyl-3-(2-methylbut-3-en-2-yl)-2-oxo-1H-pyrano[2,3-g]indol-3-yl]methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
|
449.50
|
3.1
|
2
|
4
|
87.74
|
4
|
|
|
notoamide D
|
449.50
|
3.1
|
2
|
5
|
82.11
|
2
|
|
|
(+)-Stephacidin A
|
431.50
|
3.4
|
2
|
3
|
74.43
|
0
|
|
|
notoamide B
|
447.50
|
2.1
|
2
|
4
|
87.74
|
0
|
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