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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
2,2',5-Tri-O-galloylhamamelofuranose
|
636.50
|
0.1
|
11
|
18
|
310.66
|
11
|
|
|
Tuberoside J
|
756.90
|
1.6
|
8
|
14
|
217.22
|
6
|
|
|
Tuberoside L
|
1065.20
|
-1.6
|
13
|
23
|
355.29
|
11
|
|
|
Quinquenoside F1
|
819.00
|
1.7
|
11
|
15
|
259.45
|
11
|
|
|
4-[3-[5-[4,5-Dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-3,5-dihydroxy-6-[[4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,6a,9,10,12,12a,14a-dodecahydropicen-3-yl]oxy]oxane-2-carboxylic acid
|
1381.50
|
-2
|
18
|
31
|
491.97
|
17
|
|
|
Phaseoloside E
|
1705.80
|
-6.2
|
24
|
41
|
650.27
|
23
|
|
|
Ginsenoside Rh6
|
670.90
|
2.7
|
8
|
11
|
189.53
|
8
|
|
|
(3beta,4alpha,5alpha,24Z)-4-Methylstigmasta-8,24(28)-dien-3-ol
|
426.70
|
8.7
|
1
|
1
|
20.23
|
5
|
|
|
Epiafzelechin-(4beta->6)-epicatechin 3,3'-digallate
|
866.70
|
4.6
|
13
|
19
|
334.05
|
9
|
|
|
(3alpha,5alpha,22R,23R)-Cholestane-3,22,23-triol
|
420.70
|
6.9
|
3
|
3
|
60.69
|
5
|
|
|
Trigofoenoside B
|
921.10
|
-0.3
|
12
|
19
|
307.37
|
12
|
|
|
Chrysophanol 8-gentiobioside
|
578.50
|
-0.9
|
8
|
14
|
232.9
|
6
|
|
|
2-Ethoxy-1-methoxy-4-(1-propenyl)benzene
|
192.25
|
3.2
|
0
|
2
|
18.46
|
4
|
|
|
Kaempferol 3-xylosylglucoside
|
580.50
|
-0.8
|
9
|
15
|
249.2
|
7
|
|
|
Phaseoluside A
|
945.10
|
1.1
|
12
|
18
|
298.14
|
10
|
|
|
(6Z,9Z,12Z)-6,9,12-Pentadecatrien-2-one
|
220.35
|
3.9
|
0
|
1
|
17.07
|
9
|
|
|
(6Z,9Z)-6,9-Pentadecadien-2-one
|
222.37
|
4.6
|
0
|
1
|
17.07
|
10
|
|
|
Lyciumoside III
|
648.80
|
1
|
9
|
13
|
218.99
|
17
|
|
|
Cynarasaponin F
|
780.90
|
3.3
|
8
|
14
|
232.9
|
6
|
|
|
5'-Hydroxy-3'-methoxysativan
|
332.30
|
2.9
|
2
|
6
|
77.38
|
4
|
|
|
Geranyl arabinopyranosyl-glucoside
|
448.50
|
-0.8
|
6
|
10
|
158.3
|
9
|
|
|
Guajavin A
|
1224.90
|
2.9
|
21
|
32
|
565.56
|
6
|
|
|
2-[4,5-dihydroxy-6-(hydroxymethyl)-2-[(2E,6Z,10E)-2,6,10,14-tetramethyl-14-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadeca-2,6,10,15-tetraenoxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
792.90
|
0.4
|
11
|
17
|
277.91
|
20
|
|
|
2-(hydroxymethyl)-6-[(2E,6Z,10E)-2,6,10,14-tetramethyl-14-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadeca-2,6,10,15-tetraenoxy]oxane-3,4,5-triol
|
630.80
|
2
|
8
|
12
|
198.76
|
17
|
|
|
(3Z)-8-methyl-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]-4,5,6,7,8,8b-hexahydro-3aH-indeno[1,2-b]furan-2-one
|
316.30
|
2.2
|
0
|
5
|
61.83
|
2
|
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