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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Procyanidin B4
|
578.50
|
2.4
|
10
|
12
|
220.76
|
3
|
|
|
(2R,3R,4S,5S,6R)-2-[(E)-3-[(2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
520.50
|
0.3
|
6
|
11
|
167.53
|
9
|
|
|
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1S,2S,4S,6R,10S)-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]oxane-3,4,5-triol
|
346.33
|
-2.2
|
5
|
9
|
141.37
|
4
|
|
|
(2R,3R,4S,5S,6R)-2-[(2E,6E)-8-hydroxy-3,7-dimethylocta-2,6-dienoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
332.39
|
-0.1
|
5
|
7
|
119.61
|
8
|
|
|
1'-OH-4-Keto-gamma-carotene/(Carotenoid K)
|
568.90
|
12.2
|
1
|
2
|
37.3
|
14
|
|
|
6-[4,5-Dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
|
608.50
|
-1.1
|
9
|
15
|
249.2
|
7
|
|
|
Kaempferol-3,4'-diglucoside
|
610.50
|
-1.1
|
10
|
16
|
269.43
|
7
|
|
|
Kaempferol 3,4'-diglucoside
|
610.50
|
-1.1
|
10
|
16
|
269.43
|
7
|
|
|
3-[[3,4-Dihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]methoxy]-3-oxopropanoic acid
|
664.60
|
-0.5
|
8
|
17
|
272.34
|
10
|
|
|
3-[[6-[2-(3,4-Dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4-dihydroxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]methoxy]-3-oxopropanoic acid
|
680.60
|
-0.9
|
9
|
18
|
292.57
|
10
|
|
|
5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
|
624.50
|
-2.3
|
11
|
16
|
280.43
|
6
|
|
|
Dihydroformononetin
|
270.28
|
2.7
|
1
|
4
|
55.76
|
2
|
|
|
Dehydromaackiain
|
282.25
|
3
|
1
|
5
|
61.06
|
0
|
|
|
(2R,3R)-3,7-dihydroxyflavanone
|
256.25
|
2
|
2
|
4
|
66.76
|
1
|
|
|
Apigenin 5-O-beta-D-glucopyranoside; Apigenin 5-O-beta-D-glucoside; Apigenin 5-glucoside; Apigenin 5-beta-D-glucopyranoside
|
432.40
|
-0.6
|
6
|
10
|
170.05
|
4
|
|
|
Apigenin 5-O-beta-D-glucopyranoside
|
432.40
|
-0.6
|
6
|
10
|
170.05
|
4
|
|
|
3-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxochromen-5-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
|
534.40
|
-0.3
|
7
|
14
|
233.65
|
8
|
|
|
Quercetin 3-(6''-malonyl-glucoside)
|
550.40
|
0.1
|
8
|
15
|
253.88
|
8
|
|
|
Benzyl b-primeveroside
|
402.40
|
-2.8
|
6
|
10
|
158.3
|
6
|
|
|
5,6-Dihydroxyindoline
|
151.16
|
1.2
|
3
|
3
|
52.49
|
0
|
|
|
9-(1,3-benzodioxol-5-yl)-4-[4-hydroxy-4-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxolan-2-yl]oxy-6,7-dimethoxy-3H-benzo[f][2]benzofuran-1-one
|
644.60
|
0.1
|
5
|
15
|
201.29
|
8
|
|
|
N-[4-(diaminomethylidenecarbamoylamino)butyl]-N-methylacetamide
|
229.28
|
-0.8
|
3
|
2
|
113.81
|
5
|
|
|
Pterocarinin A
|
1068.80
|
-0.8
|
19
|
30
|
525.1
|
5
|
|
|
2,4'-Dihydroxy-3',5'-dimethoxybibenzyl
|
274.31
|
3.4
|
2
|
4
|
58.92
|
5
|
|
|
(1R,3R,4S,6S,8R,10S)-4,10-dibromo-3-ethyl-8-[(E)-pent-2-en-4-ynyl]-2,7-dioxabicyclo[4.2.2]decane
|
392.13
|
4.2
|
0
|
2
|
18.46
|
3
|
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