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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Luteolin-3',7-diglucoside hplc
|
610.50
|
-1.3
|
10
|
16
|
269.43
|
7
|
|
|
5-Hydroxy-2-[3-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
610.50
|
-1.3
|
10
|
16
|
269.43
|
7
|
|
|
5-hydroxy-2-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
610.50
|
-1.3
|
10
|
16
|
269.43
|
7
|
|
|
Luteolin 4'-glucoside 7-galacturonide
|
624.50
|
-1.1
|
10
|
17
|
286.5
|
7
|
|
|
15alpha-Hydroxycimicidol-3-O-beta-xyloside
|
783.00
|
3.9
|
8
|
13
|
207.99
|
7
|
|
|
(2R,3R,4S,5S,6R)-2-[[(1R,2R,5R,7S,10R,11R,13R,15R,17S,18S,21R)-1,2,6,6,10,17-hexamethyl-15-(2-methylprop-1-enyl)-17-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-14-oxapentacyclo[11.7.1.02,11.05,10.018,21]henicosan-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
783.00
|
3.9
|
8
|
13
|
207.99
|
7
|
|
|
7-Hydroxy-6,8-bis(3-methylbut-2-enyl)chromen-2-one
|
298.40
|
5.4
|
1
|
3
|
50.44
|
4
|
|
|
Xambioona
|
388.50
|
4.8
|
0
|
4
|
44.76
|
1
|
|
|
(6beta,24R)-6-Hydroxystigmast-4-en-3-one
|
428.70
|
8
|
1
|
2
|
37.3
|
6
|
|
|
(6S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-6-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
|
428.70
|
8
|
1
|
2
|
37.3
|
6
|
|
|
7,8-Dimethoxy-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-11-ol
|
279.29
|
3.1
|
1
|
4
|
51.58
|
2
|
|
|
dimethyl (1S,5R,17S)-8,20-dihydroxy-2,2-dimethyl-4-oxo-3,16,28-trioxaheptacyclo[15.11.0.01,5.06,15.09,14.018,27.021,26]octacosa-6(15),7,9,11,13,18(27),19,21,23,25-decaene-7,19-dicarboxylate
|
556.50
|
5.6
|
2
|
10
|
137.82
|
4
|
|
|
1,7-Dihydroxy-3,6-dimethoxy-2,8-diprenylxanthone
|
424.50
|
6.6
|
2
|
6
|
89.13
|
6
|
|
|
(2S,3R,5R)-2-[(R)-bromo-[(2R,3R,5S,6R)-3,5-dibromo-6-ethyloxan-2-yl]methyl]-5-[(1R)-1-bromoprop-2-ynyl]oxolan-3-ol
|
567.90
|
4.1
|
1
|
3
|
38.69
|
4
|
|
|
(1R,3S,4R,6S)-3-[(R)-bromo-[(2R,3R,5S,6R)-3,5-dibromo-6-ethyloxan-2-yl]methyl]-6-ethynyl-2,5-dioxabicyclo[2.2.1]heptane
|
487.00
|
3.7
|
0
|
3
|
27.69
|
3
|
|
|
Antiarone E
|
438.50
|
6.6
|
4
|
6
|
107.22
|
8
|
|
|
Antiarone C
|
438.50
|
6.6
|
4
|
6
|
107.22
|
8
|
|
|
Tricoumaroyl spermidine
|
583.70
|
4.6
|
5
|
6
|
139.2
|
15
|
|
|
Kaempferide 3-O-sulfate
|
380.30
|
2.3
|
3
|
9
|
151.88
|
4
|
|
|
Flavanthridin
|
272.29
|
3.1
|
2
|
4
|
58.92
|
2
|
|
|
Flavanthrinin
|
240.25
|
3.7
|
2
|
3
|
49.69
|
1
|
|
|
[2-Hydroxy-2-(3-hydroxy-6-oxo-2,3-dihydropyran-2-yl)-1-phenylethyl] acetate
|
292.28
|
1
|
2
|
6
|
93.06
|
5
|
|
|
Rhodiolin
|
480.40
|
3.1
|
5
|
10
|
159.05
|
4
|
|
|
Helixoside A
|
1121.30
|
-0.9
|
15
|
24
|
394.36
|
14
|
|
|
N-(4-hydroxy-3-nitrophenylethyl)acetamide
|
224.21
|
1.6
|
2
|
4
|
92.47
|
3
|
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