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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
sanggenon A
|
436.50
|
4.6
|
3
|
7
|
105.45
|
2
|
|
|
Ligustrazine hydrochloride
|
172.65
|
|
1
|
2
|
25.78
|
0
|
|
|
[(2R,3R)-2-[2-[6-[5,7-dihydroxy-4-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-yl]-2,3,4-trihydroxyphenyl]-3,4,5-trihydroxyphenyl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
|
936.70
|
1.9
|
17
|
24
|
428.11
|
9
|
|
|
Isoferreirin
|
302.28
|
2.5
|
3
|
6
|
96.22
|
2
|
|
|
6-(2-Hydroxyethyl)-2,5,7-trimethylinden-1-one
|
216.27
|
2.6
|
1
|
2
|
37.3
|
2
|
|
|
Gymnemic acid X
|
724.90
|
2.1
|
8
|
13
|
223.67
|
7
|
|
|
Gymnemic acid xi
|
847.00
|
5.1
|
7
|
14
|
229.74
|
11
|
|
|
N-Desmethylthalrugosidine
|
624.70
|
5.8
|
2
|
9
|
90.88
|
4
|
|
|
Thalpindione
|
652.70
|
5.8
|
1
|
9
|
99.16
|
4
|
|
|
Uvidin A
|
252.35
|
2.5
|
1
|
3
|
49.83
|
1
|
|
|
Isolaxifolin
|
404.50
|
5.9
|
2
|
5
|
79.9
|
3
|
|
|
Laxifolin
|
404.50
|
5.9
|
2
|
5
|
79.9
|
3
|
|
|
Cyclokievitone
|
354.40
|
3.5
|
3
|
6
|
96.22
|
1
|
|
|
Uplandicine
|
357.40
|
-1.3
|
3
|
8
|
116.53
|
8
|
|
|
Cabreuva oxide B
|
220.35
|
3.2
|
0
|
1
|
9.23
|
1
|
|
|
(4R,4aS,6R,8aR)-4,4a-dimethyl-6-propan-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one
|
222.37
|
4.3
|
0
|
1
|
17.07
|
1
|
|
|
Graecunin E
|
1047.20
|
-1.3
|
12
|
22
|
335.06
|
11
|
|
|
Graecunin G
|
885.00
|
0.8
|
9
|
17
|
255.91
|
8
|
|
|
Barbigerone
|
394.40
|
4
|
0
|
6
|
67.13
|
4
|
|
|
Spiro(7H-indeno(4,5-d)-1,3-dioxole-7,1'(2'H)-isoquinolin)-8(6H)-one,7'-(beta-D-glucopyranosyloxy)-3',4'-dihydro-6'-methoxy-2'-methyl-, (2'S)-
|
515.50
|
1
|
4
|
11
|
147.38
|
4
|
|
|
alpha-L-Mannopyranoside, 3,4-dihydro-4,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-yl 6-deoxy-4-O-beta-D-glucopyranosyl-
|
630.50
|
-2.7
|
12
|
17
|
288.91
|
6
|
|
|
Epitaondiol
|
412.60
|
6.7
|
2
|
3
|
49.69
|
0
|
|
|
10-Hydroxycoronaridine
|
354.40
|
3.2
|
2
|
4
|
65.56
|
3
|
|
|
[(1R,2R,6S,7S,8R,10S,11S,12R,14S,16S,17R,18R)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-14-nona-1,3-dienyl-5-oxo-16-prop-1-en-2-yl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-17-yl] acetate
|
586.70
|
3.2
|
3
|
10
|
144.28
|
10
|
|
|
Dehydrostephanine
|
307.30
|
4.4
|
0
|
4
|
30.93
|
1
|
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