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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
2-[(14S)-7-[[(21S,22R,23R)-7,8,11,12,13,22,23-heptahydroxy-3,16-dioxo-6-(3,4,5-trihydroxybenzoyl)oxy-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaen-21-yl]oxycarbonyl]-5,14,18,19-tetrahydroxy-2,11,15-trioxo-3,10,16-trioxatetracyclo[11.7.1.04,9.017,21]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl]acetic acid
|
1106.80
|
0.1
|
15
|
31
|
513.85
|
8
|
|
|
2-[(3aR,5aS,8S,9aR)-3a,5a-dimethyl-6,7,8,9-tetrahydro-5H-furo[2,3-i][2]benzofuran-8-yl]propan-2-yl acetate
|
294.40
|
2.3
|
0
|
4
|
44.76
|
3
|
|
|
methyl (1S,15R,17S,18S)-17-ethyl-6-[(1S,12S,14R,15S,18S)-15-ethyl-18-methoxycarbonyl-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl]-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
|
706.90
|
6.9
|
2
|
7
|
99.89
|
8
|
|
|
Fukiic acid
|
272.21
|
-0.8
|
6
|
8
|
155.52
|
5
|
|
|
3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
478.40
|
0.7
|
7
|
12
|
199.51
|
5
|
|
|
Pterosin I
|
246.34
|
3.4
|
0
|
2
|
26.3
|
3
|
|
|
Dehydroaporheine
|
277.30
|
4.4
|
0
|
3
|
21.7
|
0
|
|
|
Macusine B
|
309.40
|
2.1
|
2
|
1
|
36.02
|
1
|
|
|
Dihydroguaiaretic acid
|
330.40
|
5
|
2
|
4
|
58.92
|
7
|
|
|
Capsidiol
|
236.35
|
2.8
|
2
|
2
|
40.46
|
1
|
|
|
(1R)-1,6-dimethyl-4-propan-2-yl-1,2-dihydronaphthalene
|
200.32
|
4.4
|
0
|
0
|
0
|
1
|
|
|
(2R)-8-(2,4-dihydroxyphenyl)-5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)pyrano[3,2-g]chromen-6-one
|
420.50
|
5.5
|
3
|
6
|
100.13
|
4
|
|
|
Jolkinolide A
|
314.40
|
3.9
|
0
|
3
|
38.83
|
0
|
|
|
Jolkinolide B
|
330.40
|
3.2
|
0
|
4
|
51.36
|
0
|
|
|
10-[3-[4-(4,5-Diacetyloxy-3-hydroxyoxan-2-yl)oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
967.10
|
3.3
|
7
|
18
|
266.66
|
12
|
|
|
Terretonin
|
488.50
|
1.2
|
2
|
9
|
144.27
|
2
|
|
|
8-Hydroxy-9,10-diisobutyryloxythymol
|
338.40
|
3.3
|
2
|
6
|
93.06
|
9
|
|
|
2-(2-Acetyl-3,5-dihydroxyphenyl)acetic acid
|
210.18
|
0.9
|
3
|
5
|
94.83
|
3
|
|
|
(3S,4S,4aS,6aR,6bS,8aR,9R,12aR,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,9-diol
|
458.70
|
7
|
3
|
3
|
60.69
|
1
|
|
|
Euphorbin B (b form)
|
1873.30
|
3
|
26
|
52
|
860.04
|
21
|
|
|
[11-Formyl-4,5,6,14,21,22,25,26,30,31,32,46,47,48,51,52-hexadecahydroxy-9,17,35,43,55,61-hexaoxo-38,58-bis[(3,4,5-trihydroxybenzoyl)oxy]-2,10,16,28,36,39,42,56,62-nonaoxadecacyclo[38.12.5.413,27.137,41.03,8.018,23.029,34.044,49.050,54.024,60]dohexaconta-1(52),3,5,7,18(23),19,21,24,26,29,31,33,44,46,48,50,53,59-octadecaen-12-yl] 3,4,5-trihydroxybenzoate
|
1705.20
|
2.5
|
25
|
47
|
787.21
|
10
|
|
|
Euphorbin G
|
1889.30
|
1.8
|
28
|
53
|
883.43
|
14
|
|
|
[(10R,11S,12R,15R)-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] 2-[[(1R,2S,19R,22R)-7,8,9,12,13,20,28,29,30,33,34,35-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-14-yl]oxy]-3,4,5-trihydroxybenzoate
|
1569.10
|
2.1
|
25
|
44
|
743.84
|
8
|
|
|
[(1R,7R,8S,29S,31R,49R,50S,51R,67R,69S,70R,79R)-1,13,14,15,18,22,23,24,37,38,39,42,43,44,56,57,58,75,76,80,80-henicosahydroxy-2,5,10,27,34,47,53,64,72-nonaoxo-69-(3,4,5-trihydroxybenzoyl)oxy-6,9,20,28,30,33,48,52,60,65,68,71,81-tridecaoxapentadecacyclo[75.3.1.04,79.07,67.08,70.011,16.017,63.019,61.021,26.029,51.031,49.035,40.041,46.054,59.073,78]henoctaconta-3,11,13,15,17,19(61),21,23,25,35,37,39,41,43,45,54,56,58,62,73,75,77-docosaen-50-yl] 3,4,5-trihydroxybenzoate
|
1887.30
|
1.7
|
27
|
53
|
872.43
|
6
|
|
|
Cedrol formate
|
250.38
|
4.5
|
0
|
2
|
26.3
|
2
|
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