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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
3-O-b-D-Galactopyranosylproanthocyanidin A5'
|
738.60
|
0.8
|
12
|
17
|
288.91
|
5
|
|
|
3-O-alpha-L-Arabinopyranosylproanthocyanidin A5'
|
708.60
|
0.9
|
11
|
16
|
268.68
|
4
|
|
|
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside
|
708.60
|
0.9
|
11
|
16
|
268.68
|
4
|
|
|
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin
|
576.50
|
2.4
|
9
|
12
|
209.76
|
2
|
|
|
Cycloartomunoxanthone
|
448.50
|
4.4
|
2
|
7
|
98.36
|
1
|
|
|
2-[4,5-dihydroxy-2-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
596.50
|
-1.6
|
10
|
16
|
269.43
|
6
|
|
|
(2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
|
640.50
|
-1.2
|
11
|
18
|
306.73
|
7
|
|
|
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-7-yl]oxyoxane-2-carboxylic acid
|
624.50
|
-0.8
|
10
|
17
|
286.5
|
7
|
|
|
2-[[6-[5,7-Dihydroxy-2-(4-hydroxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
|
579.50
|
|
9
|
13
|
230.29
|
6
|
|
|
6'-Malonyltrifolirhizin
|
532.40
|
0.4
|
4
|
13
|
179.67
|
7
|
|
|
(2R,5S,7R,9S,10S,12S,15R,16R)-15-[(E,2R,5S)-5,6-dimethylhept-3-en-2-yl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-1(11)-ene-5,10-diol
|
428.60
|
5.1
|
2
|
3
|
52.99
|
4
|
|
|
(2S-trans)-6-(2-Chloroethyl)-2,3-dihydro-3-hydroxy-2,5,7-trimethyl-1H-inden-1-one
|
252.73
|
2.7
|
1
|
2
|
37.3
|
2
|
|
|
Pterosin K
|
266.76
|
3.5
|
1
|
2
|
37.3
|
3
|
|
|
3,4-Dihydroxy-5-methoxy-trans-cinnamic acid methyl ester
|
224.21
|
1.5
|
2
|
5
|
75.99
|
4
|
|
|
D-ribulose 1-phosphate
|
230.11
|
-3.7
|
5
|
8
|
154.33
|
6
|
|
|
CID 14844611
|
468.70
|
8.2
|
1
|
4
|
63.6
|
6
|
|
|
methyl 3-[(1S,4R,5R,8S,9S,12S,13R)-4,8-dimethyl-5-[(1S)-1-[(2R)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-12-prop-1-en-2-yl-13-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]propanoate
|
482.70
|
8.6
|
0
|
4
|
52.6
|
7
|
|
|
2,3,4,9-Tetrahydro-1-methyl-1H-pyrido(3,4-B)indole-3-carboxylic acid, trans-(-)-
|
230.26
|
-0.8
|
3
|
3
|
65.12
|
1
|
|
|
4-methoxy-3-methyl-6-[(1E,3E)-3-methylpenta-1,3-dienyl]pyran-2-one
|
220.26
|
3.1
|
0
|
3
|
39.44
|
3
|
|
|
31-Norlanostenol
|
414.70
|
9
|
1
|
1
|
20.23
|
5
|
|
|
6-Methoxy-7-(3-methyl-2-buten-1-yl)-1,3-dioxolo[4,5-h]quinolin-8(9H)-one
|
287.31
|
2.8
|
1
|
4
|
60.55
|
3
|
|
|
2-Methoxy-6,6-dimethyl-7,12,14-trioxa-9-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,8,11(15),16-pentaen-5-ol
|
303.31
|
2.3
|
1
|
6
|
70.04
|
1
|
|
|
Neohydroxylunine, (+/-)-
|
303.31
|
1.7
|
1
|
6
|
69.92
|
0
|
|
|
((8R,8aS)-8-Isopropyl-5-methyl-3,4,6,7,8,8a-hexahydronaphthalen-2-yl)methanol
|
220.35
|
2.6
|
1
|
1
|
20.23
|
2
|
|
|
14-Hydroxymuurolene
|
220.35
|
2.8
|
1
|
1
|
20.23
|
2
|
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