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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate
|
584.50
|
1.4
|
9
|
14
|
247.81
|
6
|
|
|
muricin F
|
594.90
|
8
|
4
|
7
|
116.45
|
25
|
|
|
(2E,4E,6E,8E,10E,12E,14E,16Z,18E)-1-[(1S,4R)-4-hydroxy-1,2,2-trimethylcyclopentyl]-19-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-4,8,13,17-tetramethylnonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one
|
600.90
|
10
|
2
|
4
|
70.06
|
11
|
|
|
enniatin J1
|
611.80
|
5.6
|
0
|
9
|
139.83
|
5
|
|
|
2-[(1S,2S,4S,7R,8R,9S,10S,12S,13S,16R)-7,8,10-triacetyloxy-4,12,13-trihydroxy-5,9-dimethyl-15-oxatetracyclo[7.6.1.02,6.013,16]hexadec-5-en-2-yl]propan-2-yl benzoate
|
630.70
|
0.8
|
3
|
12
|
175.12
|
10
|
|
|
[(2R,3R,4S,5R,6R)-6-[(R)-cyano(phenyl)methoxy]-3,4,5-tris[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
|
903.70
|
3.5
|
12
|
23
|
390.21
|
16
|
|
|
Ghvlmmxlljqwqx-hsfiyanasa-
|
1269.20
|
0.4
|
13
|
30
|
451.26
|
28
|
|
|
[(2S,3R,4S,5R)-2-[(2S,3R,4S,5S)-3-acetyloxy-2-[[(3S,8R,9S,10R,13S,14S,16S,17S)-3-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-17-hydroxy-10,13-dimethyl-17-[(2S)-6-methyl-3-oxoheptan-2-yl]-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-16-yl]oxy]-5-hydroxyoxan-4-yl]oxy-3,5-dihydroxyoxan-4-yl] 3,4-dimethoxybenzoate
|
1389.50
|
-1.6
|
14
|
31
|
463.65
|
25
|
|
|
Pent-4-enamide
|
99.13
|
0.2
|
1
|
1
|
43.09
|
3
|
|
|
(+)-p-Menth-1-ene
|
138.25
|
3.4
|
0
|
0
|
0
|
1
|
|
|
Ginsenoside Ro
|
957.10
|
2.7
|
11
|
19
|
312.05
|
10
|
|
|
methyl (2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9,10-dibenzoyloxy-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylate
|
1183.30
|
5
|
10
|
22
|
336.58
|
16
|
|
|
(7aS)-1-Methylenehexahydro-1H-pyrrolizine
|
123.20
|
1.1
|
0
|
1
|
3.24
|
0
|
|
|
Epoxyartemisia ketone
|
168.23
|
1.9
|
0
|
2
|
29.6
|
3
|
|
|
2,2,2-Trideuterio-1-(2-hydroxy-4-methoxyphenyl)ethanone
|
169.19
|
2
|
1
|
3
|
46.53
|
2
|
|
|
(4S)-4-(4-methylphenyl)pentanal
|
176.25
|
2.7
|
0
|
1
|
17.07
|
4
|
|
|
[(3S,5Z)-undeca-1,5-dien-3-yl] acetate
|
210.31
|
4.2
|
0
|
2
|
26.3
|
9
|
|
|
(6R,9S)-vomifoliol
|
224.30
|
0.5
|
2
|
3
|
57.53
|
2
|
|
|
1,3-bis[(2R)-1-methylpyrrolidin-2-yl]propan-2-one
|
224.34
|
1
|
0
|
3
|
23.55
|
4
|
|
|
2-[(1S,2S)-2-(hydroxymethyl)-1,2-dimethylcyclopentyl]-4-methylphenol
|
234.33
|
3.7
|
2
|
2
|
40.46
|
2
|
|
|
Belamphenone
|
244.24
|
2.1
|
3
|
4
|
77.76
|
3
|
|
|
Methyl 7-methoxy-9H-carbazole-3-carboxylate
|
255.27
|
3.2
|
1
|
3
|
51.32
|
3
|
|
|
(1R,4S,6R,9S)-6-methyl-13-azatetracyclo[7.7.0.01,13.04,9]hexadecane-2,8-dione
|
261.36
|
1.6
|
0
|
3
|
37.38
|
0
|
|
|
Vaginidiol
|
262.26
|
1.4
|
2
|
5
|
79.9
|
1
|
|
|
4-Phenyl-1H,3H-naphtho[1,8-cd]pyran-1,3-dione
|
274.30
|
4.2
|
0
|
3
|
43.37
|
1
|
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