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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-2-[(1R,2S,3'S,4S,5'R,6R,7S,8R,9S,12S,13R,16S,18S,19S)-3',16-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-19-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]oxy-6-methyloxane-3,4,5-triol
|
740.90
|
2
|
7
|
13
|
196.99
|
4
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-2-[(1R,2S,3'R,4S,5'S,6R,7S,8R,9S,12S,13R,16S,18S,19S)-3',16-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-19-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]oxy-6-methyloxane-3,4,5-triol
|
740.90
|
2
|
7
|
13
|
196.99
|
4
|
|
|
(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1S,2S,4S,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
901.00
|
0.3
|
10
|
18
|
276.14
|
9
|
|
|
galloyl(-2)[galloyl(-3)][galloyl(-4)][galloyl(-6)]All(b)-O-galloyl
|
940.70
|
3.6
|
15
|
26
|
444.18
|
16
|
|
|
bis[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl] (2R)-2-(2-methylpropyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-phenylprop-2-enoyl]oxymethyl]oxan-2-yl]oxybutanedioate
|
1019.00
|
0
|
11
|
23
|
356.81
|
24
|
|
|
[(1S,2S,4S,5'S,6R,7S,8R,9S,12S,13R,14R,16R)-16-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl] acetate
|
1091.20
|
-1.6
|
12
|
24
|
361.36
|
13
|
|
|
Danshensu
|
198.17
|
-0.2
|
4
|
5
|
97.99
|
3
|
|
|
(4aS,6R,8aS)-4a-hydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-5,6,7,8-tetrahydro-1H-naphthalen-2-one
|
252.35
|
0.9
|
2
|
3
|
57.53
|
1
|
|
|
(1S,9S,10R,11R,14S,15R,16S)-10-ethyl-14-methyl-12-oxa-4-azatetracyclo[7.6.1.04,16.011,15]hexadecan-13-one
|
277.40
|
3.2
|
0
|
3
|
29.54
|
1
|
|
|
4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-[(4-hydroxyphenyl)methyl]-
|
284.26
|
3
|
3
|
5
|
90.9
|
2
|
|
|
Phoyunbene D
|
286.32
|
3.8
|
1
|
4
|
47.92
|
5
|
|
|
Cannabidivarin
|
286.40
|
5.4
|
2
|
2
|
40.46
|
4
|
|
|
(5S,6R,8aR)-5-[2-(furan-3-yl)ethyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
|
316.40
|
5.6
|
1
|
3
|
50.44
|
4
|
|
|
(1S)-1-[(2S,4aR,4bR,5R,8aR)-5-hydroxy-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-yl]ethane-1,2-diol
|
322.50
|
3.2
|
3
|
3
|
60.69
|
2
|
|
|
(-)-Dihydroguaiaretic acid
|
330.40
|
5
|
2
|
4
|
58.92
|
7
|
|
|
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(Z)-3-hydroxy(2,3-13C2)prop-1-enyl]-2-methoxyphenoxy]oxane-3,4,5-triol
|
344.33
|
-1.3
|
5
|
8
|
128.84
|
6
|
|
|
CID 11603911
|
408.50
|
3.3
|
0
|
6
|
71.06
|
3
|
|
|
4-Pentenenitrile
|
81.12
|
1
|
0
|
1
|
23.79
|
2
|
|
|
1,3-Cyclohexadiene
|
80.13
|
2.5
|
0
|
0
|
0
|
0
|
|
|
(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[[(1R,2S,4R,5R)-5-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]oxane-3,4,5-triol
|
464.50
|
-2
|
7
|
11
|
178.53
|
6
|
|
|
Atroviolacegenin
|
464.60
|
3
|
4
|
6
|
99.38
|
1
|
|
|
Longipedlactone A
|
478.60
|
4.3
|
1
|
5
|
72.83
|
2
|
|
|
Rosmarinyl glucoside
|
522.50
|
0.6
|
8
|
13
|
223.67
|
10
|
|
|
kaempferol 7-O-(2,3-di-E-p-coumaroyl-alpha-L-rhamnopyranoside)
|
724.70
|
5.8
|
6
|
14
|
222.65
|
11
|
|
|
[4-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4S)-3,4-dihydroxy-4-[(4-hydroxybenzoyl)oxymethyl]oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3-methoxyphenyl]methyl 3,4-dimethoxybenzoate
|
732.70
|
0.6
|
6
|
17
|
238.59
|
16
|
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