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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Tomatidenol 3-lycotetraoside
|
1032.20
|
-1.5
|
13
|
22
|
337.86
|
11
|
|
|
11-Hydroxy-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid
|
348.40
|
2.3
|
3
|
5
|
94.83
|
2
|
|
|
3-(2-Methylpropylidene)-3alpha,4-dihydro-1(3H)-isobenzofuranone
|
190.24
|
2.8
|
0
|
2
|
26.3
|
1
|
|
|
(+)-Notoginsenoside H
|
949.10
|
-0.5
|
13
|
19
|
318.37
|
12
|
|
|
12-Oxo-2,3-dinor-10,15-phytodienoic acid
|
264.36
|
3.6
|
1
|
3
|
54.37
|
9
|
|
|
4-[2-hydroxy-9-[5-[(E)-1,4,5-trihydroxynonadec-8-enyl]oxolan-2-yl]nonyl]-2-methyl-2H-furan-5-one
|
622.90
|
9.1
|
4
|
7
|
116.45
|
27
|
|
|
1,2-Anhydridoniveusin
|
376.40
|
1.2
|
2
|
7
|
102.29
|
4
|
|
|
zeta-Carotene epoxide
|
556.90
|
14.2
|
0
|
1
|
12.53
|
18
|
|
|
4'-O-Methylkanzonol W
|
350.40
|
4.1
|
1
|
5
|
68.9
|
2
|
|
|
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside)
|
544.50
|
0.9
|
9
|
13
|
234.67
|
7
|
|
|
4,8,12,15-Octadecatetraenoic acid
|
276.40
|
4.9
|
1
|
2
|
37.3
|
12
|
|
|
(+)-Soyacerebroside I
|
714.00
|
9.6
|
7
|
9
|
168.94
|
32
|
|
|
(Z)-1-(Methylthio)-5-phenyl-1-penten-3-yne
|
188.29
|
3.5
|
0
|
1
|
25.3
|
2
|
|
|
4-[4,13-dihydroxy-13-[5-[5-(1-hydroxyundecyl)oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
|
622.90
|
9.3
|
3
|
7
|
105.45
|
25
|
|
|
Quinquenoside L1
|
945.10
|
2.5
|
12
|
18
|
298.14
|
13
|
|
|
(Z)-S-Methyl 1-propenesulfinothioate
|
136.20
|
0.7
|
0
|
3
|
61.58
|
2
|
|
|
R-Propyl 1-propenesulfinothioate
|
164.30
|
1.6
|
0
|
3
|
61.58
|
4
|
|
|
[6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4-hydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-2-methyloxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
724.70
|
5.8
|
6
|
14
|
222.65
|
11
|
|
|
CID 131751310
|
686.00
|
8.5
|
7
|
9
|
168.94
|
30
|
|
|
2-Hydroxy-N-[(4Z,8Z)-3-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadeca-4,8-dien-2-yl]pentadecanimidic acid
|
700.00
|
9.1
|
7
|
9
|
168.94
|
31
|
|
|
Isofucosterol 3-O-[6-O-Hexadecanoyl-b-D-glucopyranoside]
|
813.20
|
14.6
|
3
|
7
|
105.45
|
24
|
|
|
Isofucosterol 3-O-[6-O-Octadecanoyl-b-D-glucopyranoside]
|
841.30
|
15.7
|
3
|
7
|
105.45
|
26
|
|
|
Isofucosterol 3-O-[6-O-(9-Octadecenoyl)-b-D-glucopyranoside]
|
839.30
|
14.8
|
3
|
7
|
105.45
|
25
|
|
|
[6-[4,5-dihydroxy-6-(hydroxymethyl)-2-[[12-hydroxy-4,4,8,10,14-pentamethyl-17-[6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-but-2-enoate
|
1015.20
|
3.3
|
11
|
19
|
304.21
|
16
|
|
|
Quinquenoside II
|
1233.50
|
3.2
|
14
|
24
|
383.36
|
23
|
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