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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
3,4-Di-O-caffeoylquinic acid methyl ester
|
530.50
|
1.9
|
6
|
12
|
200.28
|
10
|
|
|
2,2-bis(4-hydroxy-3-methoxyphenyl)-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1,3-dioxin-4-one
|
536.50
|
0
|
6
|
13
|
193.83
|
8
|
|
|
methyl (2S,4aR,8R,10aR,10bS)-2-(furan-3-yl)-4a-hydroxy-10b-methyl-4-oxo-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,5,6,8,9,10,10a-octahydrobenzo[f]isochromene-7-carboxylate
|
538.50
|
-0.8
|
5
|
12
|
185.35
|
6
|
|
|
Tyrosol
|
138.16
|
0.4
|
2
|
2
|
40.46
|
2
|
|
|
[2,6-dihydroxy-3-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-phenylmethanone
|
568.50
|
-1.2
|
10
|
14
|
247.06
|
7
|
|
|
1,8-dihydroxy-3-methoxy-6-methyl-2-[(7S)-4,7,10-trihydroxy-2-methoxy-7-methyl-5-oxo-6,8-dihydroanthracen-1-yl]anthracene-9,10-dione
|
570.50
|
5
|
5
|
10
|
170.82
|
3
|
|
|
[(2R,3R,4R,5R,6S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl] 3,4,5-trihydroxybenzoate
|
600.50
|
2
|
9
|
15
|
257.04
|
6
|
|
|
(1S,16S)-10,21,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.118,22.027,31.016,34]hexatriaconta-3(36),4,6(35),8(34),9,11,18(33),19,21,24,26,31-dodecaen-9-ol
|
608.70
|
6.3
|
1
|
8
|
72.86
|
3
|
|
|
Antioquine
|
608.70
|
6.1
|
2
|
8
|
83.86
|
3
|
|
|
3-(4-Hydroxyphenyl)propionic acid
|
166.17
|
1.2
|
2
|
3
|
57.53
|
3
|
|
|
Neocalycopteron
|
614.60
|
3.6
|
1
|
10
|
111.14
|
7
|
|
|
Lethedioside A
|
622.60
|
-1.1
|
6
|
15
|
216.2
|
9
|
|
|
ligurobustoside I
|
624.70
|
0.4
|
7
|
13
|
204.83
|
13
|
|
|
(4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bR)-10-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
634.80
|
8.2
|
4
|
7
|
124.29
|
6
|
|
|
Leucosceptoside A
|
638.60
|
-0.2
|
8
|
15
|
234.29
|
12
|
|
|
Tribulusamide B
|
638.70
|
4.4
|
5
|
9
|
163.65
|
12
|
|
|
Purpurediolin
|
638.90
|
8.4
|
4
|
8
|
125.68
|
25
|
|
|
(2R,3R)-3-[(10S,11R)-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]-2,3-dihydroxypropanoic acid
|
650.50
|
-0.2
|
12
|
19
|
338.73
|
6
|
|
|
Alopecurone B
|
650.70
|
8.1
|
6
|
9
|
156.91
|
8
|
|
|
alpha-Amyrin palmitate
|
665.10
|
16.9
|
0
|
2
|
26.3
|
16
|
|
|
Quadranoside II
|
666.80
|
3.4
|
8
|
11
|
197.37
|
6
|
|
|
Nagilactoside C
|
672.70
|
-2.5
|
8
|
16
|
255.27
|
7
|
|
|
[(2R,4R,4bS,5R,6S,7S,10R,10aR)-6,7-diacetyloxy-5-benzoyloxy-2-ethenyl-10,10a-dihydroxy-4b-(hydroxymethyl)-2,8,8-trimethyl-1-oxo-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-4-yl] benzoate
|
692.70
|
4.1
|
3
|
12
|
182.96
|
12
|
|
|
(1S,3R,5S,7R,9S,10S,12R,14R,15S,18R,19R,20R,22S,23R)-10,20,22-trihydroxy-7,18-dimethyl-19-(5-oxo-2H-furan-3-yl)-9-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosane-14-carbaldehyde
|
710.80
|
-1.6
|
7
|
15
|
231.13
|
5
|
|
|
4-[5-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2,3,4-trimethoxyphenoxy]-6-[(3,4-dimethoxyphenyl)methyl]-[1,3]dioxolo[4,5-f]isoquinoline
|
724.80
|
7.1
|
0
|
12
|
108.43
|
13
|
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