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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
TR-saponin C
|
1067.20
|
3.6
|
8
|
21
|
321.03
|
17
|
|
|
(2aS,4aR,8S)-2,2,4a,8-tetramethyl-2a,3,4,5,6,7-hexahydro-1H-cyclobuta[i]inden-8-ol
|
222.37
|
4
|
1
|
1
|
20.23
|
0
|
|
|
2-(hydroxymethyl)-6-[[8-[(E)-6-hydroxy-6-methylhept-4-en-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-yl]oxy]oxane-3,4,5-triol
|
618.80
|
4.6
|
5
|
8
|
128.84
|
7
|
|
|
Assamsaponin B
|
1273.40
|
-0.4
|
12
|
28
|
429.64
|
19
|
|
|
Assamsaponin C
|
1231.30
|
-0.9
|
13
|
27
|
423.57
|
17
|
|
|
Assamsaponin D
|
1233.30
|
-0.2
|
14
|
27
|
426.73
|
17
|
|
|
Assamsaponin A
|
1173.30
|
0.2
|
13
|
25
|
397.27
|
15
|
|
|
Canarigenin 3-[glucosyl-(1->4)-6-deoxy-alloside]
|
680.80
|
-0.3
|
7
|
13
|
204.83
|
6
|
|
|
Isomasticadienonalic acid
|
468.70
|
5.8
|
1
|
4
|
71.44
|
6
|
|
|
(2a,3b,5a,6a,22R,25R)-Furostane-22-methoxy-2,3,6,26-tetrol 3-[glucosyl-(1->2)-[xylosyl-(1->3)]-glucosyl-(1->4)-galactoside] 26-glucoside
|
1261.40
|
-4.7
|
18
|
30
|
474.9
|
19
|
|
|
7,2',5'-Trihydroxy-6,4'-dimethoxyisoflavone 2'-O-glucoside
|
492.40
|
0.3
|
6
|
12
|
188.51
|
6
|
|
|
Pelargonidin 3-O-[b-D-Glucopyranosyl-(1->2)-[4-hydroxy-3-methoxy-(E)-cinnamoyl-(->6)]-b-D-glucopyranoside] 5-O-b-D-glucopyranoside
|
933.80
|
|
13
|
22
|
365.2
|
15
|
|
|
Cyanidin 3-O-[4-Hydroxy-E-cinnamoyl-(->6)-b-D-glucopyranosyl-(1->2)-b-D-glucopyranoside] 5-glucoside
|
919.80
|
|
14
|
22
|
376.2
|
14
|
|
|
[6-[2-[2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-6-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
|
1097.90
|
|
16
|
26
|
442.96
|
18
|
|
|
[6-[2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-3,4-dihydroxy-5-[3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
|
1112.00
|
|
15
|
26
|
431.96
|
19
|
|
|
Myricetin 3-(6-acetylgalactoside)
|
522.40
|
0
|
8
|
14
|
236.81
|
6
|
|
|
[2-[(2E)-2-(cyanomethylidene)-3-hydroxy-4,5-dimethoxycyclohexyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
551.50
|
-1
|
5
|
13
|
197.39
|
10
|
|
|
Tuberoside A (Allium tuberosum)
|
903.10
|
0.5
|
11
|
18
|
287.14
|
12
|
|
|
Tuberoside B (Allium tuberosum)
|
1049.20
|
-1.2
|
13
|
22
|
346.06
|
14
|
|
|
6-Caffeoylsucrose
|
504.40
|
-2.3
|
9
|
14
|
236.06
|
9
|
|
|
beta-Chacotriosyllilagen
|
885.00
|
0.4
|
9
|
17
|
255.91
|
7
|
|
|
1-[1,4-Dihydro-4-nonyl-5-(1-oxodecyl)-3-pyridinyl]-1-dodecanone
|
543.90
|
13.9
|
1
|
3
|
46.17
|
28
|
|
|
12,14-Triacontanedione
|
450.80
|
12.8
|
0
|
2
|
34.14
|
27
|
|
|
Saponin H
|
650.80
|
4.2
|
5
|
10
|
158.44
|
7
|
|
|
Taraxacolide 1-O-b-D-glucopyranoside
|
428.50
|
-0.1
|
4
|
9
|
142.75
|
3
|
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