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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Euphorbadienol
|
440.70
|
9.4
|
1
|
1
|
20.23
|
5
|
|
|
[(E)-2-[(1S,2S,7R)-2-[(E)-4-hydroperoxy-4-methylpent-2-enyl]-5-(hydroxymethyl)-2-methyl-6-oxo-7-(2-oxopropyl)cyclohept-4-en-1-yl]ethenyl] 3-methylbut-2-enoate
|
448.50
|
3
|
2
|
7
|
110.13
|
11
|
|
|
Aceroside B1
|
460.50
|
2.6
|
5
|
8
|
128.84
|
3
|
|
|
Lycernuic ketone C
|
472.70
|
5.8
|
3
|
4
|
77.76
|
1
|
|
|
3-Deoxy-1beta,20-dihydroxyecdysone
|
480.60
|
0.5
|
6
|
7
|
138.45
|
5
|
|
|
Pentylbenzene
|
148.24
|
5
|
0
|
0
|
0
|
4
|
|
|
6'-O-beta-D-Glucosylgentiopicroside
|
518.50
|
-3.4
|
7
|
14
|
214.06
|
7
|
|
|
[(1S,4aR,5S,6R,7S,7aS)-6,7-dihydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-5-yl] 4-hydroxy-3-methoxybenzoate
|
530.50
|
-1.8
|
8
|
14
|
225.06
|
8
|
|
|
(2R,3R,5S,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,5-dihydroxy-6-[[(12R)-4-hydroxy-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),15,18-hexaen-12-yl]oxy]oxan-4-one
|
590.60
|
1.4
|
6
|
12
|
184.6
|
6
|
|
|
13-O-Deacetyltaxumairol Z
|
604.60
|
-1
|
5
|
12
|
189.28
|
9
|
|
|
[(3S,5aS,6S,7S,9aS)-6-[2-[(5aS,6S,7R,9aS)-7-acetyloxy-2,2,5a,7-tetramethyl-3-oxo-4,5,6,8,9,9a-hexahydrobenzo[b]oxepin-6-yl]ethyl]-7-acetyloxy-2,2,5a,7-tetramethyl-4,5,6,8,9,9a-hexahydro-3H-benzo[b]oxepin-3-yl] acetate
|
634.80
|
5.4
|
0
|
9
|
114.43
|
9
|
|
|
23-O-Acetylshengmanol-3-o-alpha-L-arabinoside
|
662.80
|
4.2
|
4
|
10
|
155.28
|
8
|
|
|
Bacopaside IV
|
767.00
|
3.1
|
7
|
13
|
196.99
|
6
|
|
|
1-[(3S,8R,9S,10R,13S,14S)-3-[(2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-3,5-bis[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]oxan-2-yl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methoxyethanone
|
798.90
|
-0.5
|
8
|
16
|
243.52
|
10
|
|
|
(1R,9R,10S,11R,12S)-1-hydroxy-N-[4-[[(E)-4-hydroxy-2-methylbut-2-enoyl]amino]butyl]-3,5-dimethoxy-9-(4-methoxyphenyl)-10-phenyl-12-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-11-carboxamide
|
808.90
|
1
|
8
|
14
|
234.96
|
16
|
|
|
Epicatechin-(4beta->6)-epicatechin-(4beta->8)-epicatechin
|
866.80
|
3.3
|
15
|
18
|
331.14
|
5
|
|
|
3-[(2S,3R,4S,5R,6R)-6-[[(2R,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
|
872.80
|
-3.6
|
13
|
23
|
367.04
|
10
|
|
|
rotundifolioside I
|
897.10
|
2.3
|
9
|
16
|
246.68
|
7
|
|
|
(2S,3R,4S,5R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6R)-2-[[(1S,2R,4S,5R,8R,10S,13S,14R,17S,18R,19S,20S,21S)-2,21-dihydroxy-4,5,9,9,13,19,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-4,5-dihydroxy-6-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
|
913.10
|
1.1
|
10
|
17
|
266.91
|
7
|
|
|
CID 10866150
|
1251.40
|
-3.2
|
15
|
28
|
431.28
|
14
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-[[(1S,2S,4S,6R,7S,8R,9S,12S,13R,16S)-6-methoxy-7,9,13-trimethyl-6-[(3S)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
1387.50
|
-3.9
|
18
|
32
|
493.36
|
21
|
|
|
6-Octenal, 7-methyl-3-methylene-
|
152.23
|
3
|
0
|
1
|
17.07
|
5
|
|
|
4-[(1S)-1-hydroxyethyl]phenol
|
138.16
|
0.2
|
2
|
2
|
40.46
|
1
|
|
|
(2S)-1-[(2S,6R)-6-methylpiperidin-2-yl]propan-2-ol
|
157.25
|
1.2
|
2
|
2
|
32.26
|
2
|
|
|
8-Methoxynaphthalene-1-ol
|
174.20
|
2.8
|
1
|
2
|
29.46
|
1
|
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