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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Cinncassiol D2 glucoside
|
530.60
|
-1.7
|
8
|
11
|
189.53
|
5
|
|
|
2'',4'',6''-Triacetylglycitin
|
572.50
|
1.8
|
2
|
13
|
177.26
|
11
|
|
|
2-[2-[3-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol
|
1211.40
|
-1.2
|
16
|
26
|
415.98
|
17
|
|
|
4-Demethylsimmondsin 2'-(E)-ferulate
|
537.50
|
-1.5
|
6
|
13
|
208.39
|
9
|
|
|
3-Demethylsimmondsin 2'-(Z)-ferulate
|
537.50
|
-1.5
|
6
|
13
|
208.39
|
9
|
|
|
Lupiwighteone hydrate 7-glucoside
|
518.50
|
1.4
|
7
|
11
|
190.28
|
7
|
|
|
4-[13-[5-[5-(1,4-dihydroxyundecyl)oxolan-2-yl]oxolan-2-yl]-2,13-dihydroxytridecyl]-2-methyl-2H-furan-5-one
|
638.90
|
8.2
|
4
|
8
|
125.68
|
25
|
|
|
Methyl (Z)-5-(1-propynyl)-2-thienylacrylate
|
206.26
|
2.7
|
0
|
3
|
54.54
|
4
|
|
|
6-[(8a-Carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy]-4-[carboxy(carboxymethoxy)methoxy]-3,5-dihydroxyoxane-2-carboxylic acid
|
764.90
|
5.8
|
6
|
14
|
226.58
|
10
|
|
|
6-[(8a-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8-oxo-2,3,4a,5,6,7,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-yl)oxy]-3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
1105.20
|
-0.9
|
14
|
24
|
391.2
|
12
|
|
|
6-[(8a-acetyloxy-4,4,6a,6b,11,11,14b-heptamethyl-8-oxo-2,3,4a,5,6,7,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-yl)oxy]-3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
1147.30
|
-0.3
|
13
|
25
|
397.27
|
14
|
|
|
Artabsinolide D
|
282.33
|
-1.1
|
3
|
5
|
86.99
|
0
|
|
|
5,6-Epoxy-5,6-dihydro-12'-apo-b-carotene-3,12'-diol
|
384.60
|
5.7
|
2
|
3
|
52.99
|
7
|
|
|
Apo-12'-violaxanthal
|
382.50
|
5.6
|
1
|
3
|
49.83
|
7
|
|
|
Carpoxanthin
|
602.90
|
9.3
|
4
|
4
|
80.92
|
10
|
|
|
6-Epikarpoxanthin
|
602.90
|
9.3
|
4
|
4
|
80.92
|
10
|
|
|
Isovitexin 4',7-diglucoside
|
756.70
|
-3.4
|
13
|
20
|
339.35
|
9
|
|
|
6'''-O-Sinapoylsaponarin
|
800.70
|
0.1
|
10
|
19
|
304.96
|
12
|
|
|
Isovitexin 7-(6'''-sinapoylglucoside) 4'-glucoside
|
962.90
|
-1.7
|
13
|
24
|
384.11
|
15
|
|
|
Momordicoside D
|
783.00
|
3.2
|
9
|
13
|
218.99
|
10
|
|
|
4,12-Dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
|
348.40
|
0.3
|
3
|
6
|
104.06
|
1
|
|
|
5-Hydroxy-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-12-ene-9,11-dicarboxylic acid
|
360.40
|
1
|
3
|
7
|
121.13
|
2
|
|
|
4,12,13-Trihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
|
364.40
|
-0.6
|
4
|
7
|
124.29
|
1
|
|
|
3,16,17-Trihydroxy-11-methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.15,8.01,10.02,8]octadecane-9-carboxylic acid
|
378.40
|
-0.2
|
4
|
7
|
124.29
|
1
|
|
|
Hovenoside I
|
899.10
|
1.6
|
9
|
17
|
255.91
|
8
|
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