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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
5,7,3',4'-Tetrahydroxy-6-geranylflavonol
|
438.50
|
5.9
|
5
|
7
|
131.36
|
6
|
|
|
19-Methoxy-2,15-dioxapentacyclo[22.2.2.13,7.110,14.016,21]triaconta-1(26),3,5,7(30),10(29),11,13,16(21),17,19,24,27-dodecaen-4-ol
|
438.50
|
7.1
|
1
|
4
|
47.92
|
1
|
|
|
Dammarenediol II
|
444.70
|
8.5
|
2
|
2
|
40.46
|
4
|
|
|
(2R,3R,4S,5S,6R)-2-[(3R,5R)-5-hydroxy-1,7-bis(4-hydroxyphenyl)heptan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
478.50
|
1.7
|
7
|
9
|
160.07
|
11
|
|
|
Lactucain A
|
504.60
|
2.2
|
0
|
7
|
95.97
|
2
|
|
|
(2R,3R,4S,5S,6R)-2-[(3R,5R)-1,7-bis(3,4-dihydroxyphenyl)-5-hydroxyheptan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
510.50
|
1
|
9
|
11
|
200.53
|
11
|
|
|
5,3',4'-Trihydroxy-3-methoxy-6:7-methylenedioxyflavone 4'-O-glucuronide
|
520.40
|
1.1
|
6
|
14
|
214.81
|
5
|
|
|
(2S,3S,4S,5R,6S)-6-[5,6-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
|
522.40
|
0.9
|
7
|
14
|
225.81
|
6
|
|
|
[(2R,3S,4S,5R,6S)-6-[[(1S,4aS,5R,7S,7aR)-4a,5,7-trihydroxy-7-methyl-1,5,6,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl (Z)-3-(4-methoxyphenyl)prop-2-enoate
|
524.50
|
-1.2
|
6
|
12
|
184.6
|
8
|
|
|
(E,6S)-6-[(2R,5S)-5-[(2R,5R)-5-[(2S,5R)-5-[(E,2S)-6-hydroperoxy-2-hydroxy-6-methylhept-4-en-2-yl]-2-methyloxolan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-2-methylhept-3-ene-2,6-diol
|
540.70
|
2.6
|
4
|
8
|
117.84
|
11
|
|
|
muricin D
|
568.80
|
7.7
|
4
|
7
|
116.45
|
24
|
|
|
[(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate
|
600.50
|
1
|
10
|
15
|
268.04
|
6
|
|
|
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxyoxan-2-yl]methyl 4-hydroxybenzoate
|
642.60
|
2.1
|
6
|
15
|
224.04
|
10
|
|
|
(1S,5E,7E,9R,10R,11R,12S,13R,14R,18S,19R,20S,24R,28S,29R,30R)-10-ethenyl-24,29-dihydroxy-22-(hydroxymethyl)-18,26,30-trimethyl-12-[(1E,3E,5E)-nona-1,3,5-trienyl]-2,16-dioxaheptacyclo[16.13.0.01,19.09,14.011,13.020,29.024,28]hentriaconta-5,7,21,26-tetraene-3,15,25-trione
|
710.90
|
5.8
|
3
|
8
|
130.36
|
7
|
|
|
Kdrjmjvsppnkcb-hnwyzlhxsa-
|
1311.20
|
0.9
|
12
|
31
|
457.33
|
30
|
|
|
(2R,3R,4S,5S,6R)-2-[(2R)-4-[(1S,2S,4S,6R,7S,8R,9S,12S,13R,15R,16R)-16-[(2R,3R,4R,5R,6R)-5-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-15-hydroxy-6-methoxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
1405.50
|
-5.8
|
20
|
34
|
533.82
|
22
|
|
|
Capsicoside E
|
1435.50
|
-5
|
21
|
35
|
554.05
|
23
|
|
|
(5S)-2-Methyl-5-(1-methylethenyl)-1,3-cyclohexadiene
|
134.22
|
3.3
|
0
|
0
|
0
|
1
|
|
|
(2S,4R)-4-hydroxypiperidine-2-carboxylic acid
|
145.16
|
-3
|
3
|
4
|
69.56
|
1
|
|
|
(1R,2R)-1-ethenyl-2-[(E)-hex-1-enyl]cyclopropane
|
150.26
|
4.1
|
0
|
0
|
0
|
5
|
|
|
(3S)-2,2-dimethyl-3-[(2E)-3-methylpenta-2,4-dienyl]oxirane
|
152.23
|
2.9
|
0
|
1
|
12.53
|
3
|
|
|
rel-(4R,4aS,7S,7aR)-Hexahydro-4,7-dimethylcyclopenta[c]pyran-3(1H)-one
|
168.23
|
2.6
|
0
|
2
|
26.3
|
0
|
|
|
Isoboonein
|
170.21
|
0.6
|
1
|
3
|
46.53
|
0
|
|
|
5-Methoxycoumarin
|
176.17
|
1.9
|
0
|
3
|
39.44
|
1
|
|
|
trans-Chrysanthenyl acetate
|
194.27
|
2.3
|
0
|
2
|
26.3
|
2
|
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