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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Oleodaphnone
|
230.30
|
1.9
|
0
|
2
|
34.14
|
1
|
|
|
Gymnomitra-3(15),4-diene
|
202.33
|
4.9
|
0
|
0
|
0
|
0
|
|
|
(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-6-carboxy-2-[2-[4-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
|
798.60
|
-1.8
|
12
|
23
|
379.56
|
10
|
|
|
Apigenin 4'-O-beta-D-Glucuronide
|
446.40
|
0.2
|
6
|
11
|
187.12
|
4
|
|
|
(2S,3S,4S,5R,6S)-6-[4-[7-[(2S,3R,4S,5S,6S)-6-carboxy-3-[(2R,3R,4S,5S,6S)-6-carboxy-4,5-dihydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-5-hydroxy-4-oxochromen-2-yl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
|
974.80
|
0.5
|
12
|
26
|
415.09
|
15
|
|
|
(2S,3S,4S,5R,6R)-6-[(2S,3S,4S,5R,6R)-2-carboxy-6-[(2S,3R,4S,5S,6S)-6-carboxy-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-3-yl]oxy-3-hydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
|
974.80
|
0.7
|
12
|
26
|
415.09
|
15
|
|
|
(2S,3S,4S,5R,6R)-6-[(2S,3S,4S,5R,6R)-2-carboxy-6-[(2S,3R,4S,5S,6S)-6-carboxy-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-3-yl]oxy-3-hydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
|
944.70
|
0.7
|
12
|
25
|
405.86
|
14
|
|
|
(2S,3S,4S,5R,6S)-6-[4-[7-[(2S,3R,4S,5S,6S)-6-carboxy-3-[(2R,3R,4S,5S,6S)-6-carboxy-4,5-dihydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-5-hydroxy-4-oxochromen-2-yl]-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
|
990.80
|
0.1
|
13
|
27
|
435.32
|
15
|
|
|
5,7-dihydroxy-2-{1,2,3,9-tetrahydroxy-8-oxobenzo[7]annulen-6-yl}-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate
|
552.40
|
3
|
9
|
13
|
234.67
|
4
|
|
|
methyl (3R,3aR,5S,9R,9aS)-5-[(1R,3aS,4R,7aR)-7a-methoxycarbonyl-1,3a,4-trimethyl-7-oxo-1,2,3,4-tetrahydroinden-5-yl]-3,9,9a-trimethyl-4-oxo-1,2,3,5,6,7,8,9-octahydrocyclopenta[b]naphthalene-3a-carboxylate
|
524.70
|
6.3
|
0
|
6
|
86.74
|
5
|
|
|
(1E,2R,3R)-2-(3,5-dihydroxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)-1-[(4-hydroxy-3-methoxyphenyl)methylidene]-2,3-dihydroindene-4,6-diol
|
514.50
|
4.8
|
6
|
8
|
139.84
|
5
|
|
|
dimethyl (1S,9R,16R,18S,21S)-18-hydroxy-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-2,18-dicarboxylate
|
412.50
|
2
|
1
|
6
|
79.31
|
3
|
|
|
(1S,4aS,5S,8aR)-1,4a-dimethyl-6-oxo-5-[(2R)-5-oxo-2-propan-2-yloxolan-2-yl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carbaldehyde
|
334.40
|
3.2
|
0
|
4
|
60.44
|
3
|
|
|
(1S,4aS,5R,8aR)-5-[(E)-3-formyl-4-methylpent-2-enyl]-1,4a-dimethyl-6-oxo-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carbaldehyde
|
318.40
|
3.4
|
0
|
3
|
51.21
|
5
|
|
|
(1S,4aS,9S,10aR)-9-hydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbaldehyde
|
300.40
|
4.2
|
1
|
2
|
37.3
|
2
|
|
|
methyl (1R,9R,10S,12R,13Z,18S)-13-ethylidene-4-methoxy-8-methyl-8,15-diazapentacyclo[10.5.1.01,9.02,7.010,15]octadeca-2(7),3,5-triene-18-carboxylate
|
368.50
|
2.5
|
0
|
5
|
42.01
|
3
|
|
|
sanggenon O
|
708.70
|
6.3
|
8
|
12
|
214.44
|
6
|
|
|
(4aS,5R,8aR,9aR)-3,4a,5-trimethyl-5,8a,9,9a-tetrahydro-4H-benzo[f][1]benzofuran-2,6-dione
|
246.30
|
1.9
|
0
|
3
|
43.37
|
0
|
|
|
Lathyrol
|
334.40
|
2.2
|
3
|
4
|
77.76
|
0
|
|
|
(1R,2E,6S,10R)-10-(2-hydroxypropan-2-yl)-3-methyl-7-methylidenecyclodec-2-ene-1,6-diol
|
254.36
|
1.5
|
3
|
3
|
60.69
|
1
|
|
|
(1R,2E,6R,10R)-10-(2-hydroxypropan-2-yl)-3-methyl-7-methylidenecyclodec-2-ene-1,6-diol
|
254.36
|
1.5
|
3
|
3
|
60.69
|
1
|
|
|
2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
494.40
|
0.3
|
8
|
13
|
219.74
|
5
|
|
|
Betulinic acid palmitate
|
695.10
|
16.1
|
1
|
4
|
63.6
|
18
|
|
|
Thalmineline
|
742.90
|
6.3
|
1
|
12
|
109.78
|
12
|
|
|
methyl (1S,14R,15S,16S,20S)-14-(hydroxymethyl)-16-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate
|
546.60
|
-0.4
|
6
|
11
|
174.17
|
6
|
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