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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(4S,5R)-4-hydroxy-5-(hydroxymethyl)dihydrofuran-2(3H)-one
|
132.11
|
-0.9
|
2
|
4
|
66.76
|
1
|
|
|
Ikshusterol
|
430.70
|
8.2
|
2
|
2
|
40.46
|
6
|
|
|
Sanguiin H6
|
1871.30
|
4.2
|
29
|
52
|
877.36
|
8
|
|
|
1-Ipomeanol
|
168.19
|
0.1
|
1
|
3
|
50.44
|
4
|
|
|
[3,4,5,13,21,22,23-Heptahydroxy-8,18-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-12-yl] 3,4,5-trihydroxy-2-[(7,13,14-trihydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaen-6-yl)oxy]benzoate
|
1086.70
|
2.3
|
16
|
30
|
507.76
|
8
|
|
|
Asiaticoside A
|
975.10
|
-1.2
|
13
|
20
|
335.44
|
10
|
|
|
5-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
492.40
|
0.8
|
6
|
12
|
188.51
|
6
|
|
|
[(10S,11R,12R,13R,15R)-3,4,5,11,12,21,22,23-octahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-13-yl] 2-[5-[[(1R,2S,19R,20R,22R)-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-20-yl]oxycarbonyl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoate
|
1569.10
|
2.1
|
25
|
44
|
743.84
|
8
|
|
|
2,6-Bis(tert-butyl)-4-(1-methyl-1-phenylethyl)phenol
|
324.50
|
7.7
|
1
|
1
|
20.23
|
4
|
|
|
2,6-Dichlorobenzamide
|
190.02
|
0.8
|
1
|
1
|
43.09
|
1
|
|
|
4,5-dibromo-1H-pyrrole-2-carboxylic acid
|
268.89
|
2.3
|
2
|
2
|
53.09
|
1
|
|
|
[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-(3,4,5-trihydroxybenzoyl)oxy-2-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-3-yl] 3,4,5-trihydroxy-2-[[(1R,2S,19R,20S,22R)-7,8,9,12,13,28,29,30,33,34,35-undecahydroxy-4,17,25,38-tetraoxo-20-(3,4,5-trihydroxybenzoyl)oxy-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-14-yl]oxy]benzoate
|
1571.10
|
2.4
|
25
|
44
|
743.84
|
15
|
|
|
[(5S,7R,8R,9R,10R,13S,17R)-17-(furan-3-yl)-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] acetate
|
436.60
|
5.7
|
0
|
4
|
56.51
|
3
|
|
|
5-Methoxy-N-methyltryptamine
|
204.27
|
1
|
2
|
2
|
37.05
|
4
|
|
|
4,5-Dihydroxy-1-methylpiperidine-2-carboxylic acid
|
175.18
|
-3.5
|
3
|
5
|
81
|
1
|
|
|
methyl (1S,4aR,7R,7aS)-7-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,7,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
|
374.34
|
-1.9
|
5
|
10
|
155.14
|
5
|
|
|
(2R)-4-[(13R)-13-[(2R,5R)-5-[(2R,5R)-5-[(1S,6R)-1,6-dihydroxyundecyl]oxolan-2-yl]oxolan-2-yl]-13-hydroxytridecyl]-2-methyl-2H-furan-5-one
|
622.90
|
9.3
|
3
|
7
|
105.45
|
25
|
|
|
3-[[(1R,2S,19R,20R,22R)-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-20-(3,4,5-trihydroxybenzoyl)oxy-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32(37),33,35-dodecaen-36-yl]oxy]-4,5-dihydroxybenzoic acid
|
1104.70
|
2.4
|
18
|
31
|
531.17
|
6
|
|
|
(1R,2R,20R,42S,46R)-7,8,9,12,13,14,25,26,27,30,31,32,35,36,37-pentadecahydroxy-46-[(2R,3S)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-6-yl]-3,18,21,41,43-pentaoxanonacyclo[27.13.3.138,42.02,20.05,10.011,16.023,28.033,45.034,39]hexatetraconta-5,7,9,11,13,15,23,25,27,29(45),30,32,34(39),35,37-pentadecaene-4,17,22,40,44-pentone
|
1222.90
|
2.6
|
21
|
32
|
565.56
|
2
|
|
|
(1R,2R,20R,44S,45R,49R,50S)-7,8,9,12,13,14,25,26,27,30,31,32,35,41,44-pentadecahydroxy-45-(3,4,5-trihydroxyphenyl)-3,18,21,38,46,51,54-heptaoxadodecacyclo[27.21.3.334,50.02,20.05,10.011,16.023,28.033,53.037,49.039,48.042,47.037,56]hexapentaconta-5,7,9,11,13,15,23,25,27,29(53),30,32,34,39(48),40,42(47)-hexadecaene-4,17,22,36,52,55-hexone
|
1192.90
|
1.5
|
18
|
31
|
531.17
|
1
|
|
|
(1R,2R,20R,43R,44S,49R,50S)-7,8,9,12,13,14,25,26,27,30,31,32,35,44,47-pentadecahydroxy-43-(3,4,5-trihydroxyphenyl)-3,18,21,38,42,51,54-heptaoxadodecacyclo[27.21.3.334,50.02,20.05,10.011,16.023,28.033,53.037,49.039,48.041,46.037,56]hexapentaconta-5,7,9,11,13,15,23,25,27,29(53),30,32,34,39(48),40,46-hexadecaene-4,17,22,36,52,55-hexone
|
1192.90
|
1.5
|
18
|
31
|
531.17
|
1
|
|
|
[(2R,3R)-2-(3,4-dihydroxyphenyl)-6-[(14R,15S,19R)-14-[(10R,11R)-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]-2,3,4,7,8,9-hexahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-19-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
|
1361.00
|
4.5
|
22
|
35
|
612.09
|
9
|
|
|
5-Nonadecylbenzene-1,3-diol
|
376.60
|
11.2
|
2
|
2
|
40.46
|
18
|
|
|
2'-Hydroxyflavone
|
238.24
|
3.2
|
1
|
3
|
50.44
|
1
|
|
|
4-(2-(Dimethylamino)ethyl)-2-methoxyphenol
|
195.26
|
1.2
|
1
|
3
|
32.7
|
4
|
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