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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Arabsin
|
266.33
|
1.5
|
1
|
4
|
63.6
|
0
|
|
|
[17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
576.80
|
11.1
|
1
|
4
|
55.76
|
10
|
|
|
ST 28:1;O;Hex;FA 18:1
|
827.30
|
14.7
|
3
|
7
|
105.45
|
25
|
|
|
Assamsaponin E
|
1217.30
|
0.4
|
13
|
26
|
406.5
|
16
|
|
|
3-Methylpentyl glucosinolate
|
403.50
|
0.4
|
5
|
11
|
199.79
|
9
|
|
|
1-(2-Propenylsulfinyl)propyl propyl disulfide
|
238.40
|
2.7
|
0
|
4
|
86.88
|
8
|
|
|
1-Propenyl 1-(2-propenylsulfinyl)propyl disulfide
|
236.40
|
2.5
|
0
|
4
|
86.88
|
7
|
|
|
2-Propenyl 1-(1-propenylsulfinyl)propyl disulfide
|
236.40
|
2.5
|
0
|
4
|
86.88
|
7
|
|
|
2-Propenyl 1-(propylsulfinyl)propyl disulfide
|
238.40
|
2.5
|
0
|
4
|
86.88
|
8
|
|
|
7-Epizucchini factor A
|
681.90
|
9.8
|
2
|
6
|
98.85
|
7
|
|
|
Fauronyl acetate
|
280.40
|
3.7
|
0
|
3
|
43.37
|
3
|
|
|
5,8-Epoxy-5,8-dihydro-12'-apo-b-carotene-3,12'-diol
|
384.60
|
5.4
|
2
|
3
|
49.69
|
6
|
|
|
3-hydroxy-17-[(E)-6-methoxy-6-methylhept-4-en-2-yl]-4,4,13,14-tetramethyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-9-carbaldehyde
|
648.90
|
3.7
|
5
|
9
|
145.91
|
9
|
|
|
beta-Kessyl ketone
|
236.35
|
2.7
|
0
|
2
|
26.3
|
1
|
|
|
(3E,11Z)-trideca-3,11-dien-5,7,9-triyne-1,2-diol
|
200.23
|
1.6
|
2
|
2
|
40.46
|
4
|
|
|
7-Ethyl-3,6-dihydro-1,4-dimethylazulene
|
186.29
|
2.7
|
0
|
0
|
0
|
1
|
|
|
6-[[8,9-diacetyloxy-4-formyl-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
1303.40
|
-0.4
|
13
|
29
|
449.87
|
20
|
|
|
Assamsaponin G
|
1261.40
|
-0.4
|
14
|
28
|
443.8
|
18
|
|
|
Assamsaponin H
|
1261.40
|
-1
|
14
|
28
|
443.8
|
18
|
|
|
Assamsaponin I
|
1261.40
|
-1
|
14
|
28
|
443.8
|
18
|
|
|
Trigoneoside XIb
|
907.00
|
-0.2
|
12
|
19
|
307.37
|
12
|
|
|
Assamsaponin J
|
1321.40
|
2.3
|
12
|
27
|
412.57
|
19
|
|
|
Achillicin
|
306.40
|
0.6
|
1
|
5
|
72.83
|
2
|
|
|
Heliantriol A1
|
458.70
|
6.7
|
3
|
3
|
60.69
|
1
|
|
|
Linalool 3,7-oxide beta-primeveroside
|
464.50
|
-2.2
|
6
|
11
|
167.53
|
6
|
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