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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Malvidin 3-arabinoside cation
|
463.40
|
|
6
|
10
|
169.6
|
5
|
|
|
CID 12137734
|
364.50
|
0.9
|
3
|
5
|
90.29
|
1
|
|
|
28-Hydroxylup-20(29)-en-3-one
|
440.70
|
8
|
1
|
2
|
37.3
|
2
|
|
|
methyl (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate
|
470.70
|
8.5
|
1
|
3
|
46.53
|
3
|
|
|
[(1R,2R,3R,5S,8R,9R,10R,13S)-10,13-diacetyloxy-2,9-dihydroxy-8,12,15,15-tetramethyl-4-methylidene-5-tricyclo[9.3.1.03,8]pentadec-11-enyl] (3R)-3-(methylamino)-3-phenylpropanoate
|
597.70
|
2.5
|
3
|
9
|
131.39
|
10
|
|
|
rel-(4aR,8aS)-3,8a-Dimethyl-5-methylene-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-b]furan
|
216.32
|
4
|
0
|
1
|
13.14
|
0
|
|
|
[(2R,3S,4S,5R,6R)-6-[(2S)-2,3-bis[[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy]propoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
|
1035.50
|
16.1
|
3
|
11
|
158.05
|
50
|
|
|
O-6-Deoxy-I+/--L-mannopyranosyl-(1a3)-O-I+/--D-galactopyranosyl-(1a3)-6-deoxy-L-galactose
|
472.40
|
-5.1
|
9
|
14
|
236.06
|
9
|
|
|
Glc(a1-4)aldehydo-Gal
|
342.30
|
-5
|
8
|
11
|
197.37
|
8
|
|
|
Methyl 2-(4,5-dihydroxy-9,10-dioxo-3-propanoylanthracen-2-yl)acetate
|
368.30
|
2.7
|
2
|
7
|
117.97
|
5
|
|
|
Erythristemine
|
343.40
|
1.6
|
0
|
5
|
40.16
|
4
|
|
|
Taxine B
|
583.70
|
1.7
|
3
|
9
|
133.6
|
8
|
|
|
1-[(3-hydroxy-4-methoxyphenyl)methyl]-7-methoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-6-ol
|
344.40
|
3
|
2
|
4
|
58.92
|
4
|
|
|
Floionolic acid
|
332.50
|
3.6
|
4
|
5
|
97.99
|
17
|
|
|
Cyclohexyl acetate
|
142.20
|
1.9
|
0
|
2
|
26.3
|
2
|
|
|
(1S,3S)-6,7-dihydroxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
|
223.22
|
-1.6
|
4
|
5
|
89.79
|
1
|
|
|
(3S)-7,8-dihydroxy-1,1-dimethyl-3,4-dihydro-2H-isoquinoline-3-carboxylic acid
|
237.25
|
-1.4
|
4
|
5
|
89.79
|
1
|
|
|
4',5,6,7,8-Pentahydroxy-3'-methoxyflavone
|
332.26
|
1.9
|
5
|
8
|
140.59
|
2
|
|
|
[3-[(1S,4S)-2,2-dimethyl-4-prop-1-en-2-ylcyclopentyl]-2,4,6-trihydroxyphenyl]-phenylmethanone
|
366.40
|
6.4
|
3
|
4
|
77.76
|
4
|
|
|
17alpha-hydroxywithaferin A
|
486.60
|
2.2
|
3
|
7
|
116.59
|
3
|
|
|
(1S,3R,8R,11R,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methyl-4-oxohept-5-en-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one
|
438.70
|
8.1
|
0
|
2
|
34.14
|
4
|
|
|
(3S,4aR,6aR,6bR,8aR,12aR,14aR,14bR)-6b-(hydroxymethyl)-4,4,6a,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-ol
|
442.70
|
7.7
|
2
|
2
|
40.46
|
1
|
|
|
(4aR,6aR,6bR,8aR,12aR,14aR,14bR)-6b-(hydroxymethyl)-4,4,6a,8a,11,11,14b-heptamethyl-2,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-one
|
440.70
|
7.4
|
1
|
2
|
37.3
|
1
|
|
|
(3aR,4aS,5S,8aS,9aR)-5-hydroxy-5,8a-dimethyl-3-methylidene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
|
250.33
|
2.6
|
1
|
3
|
46.53
|
0
|
|
|
(3S,4R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
|
267.24
|
-1.1
|
4
|
8
|
139.54
|
2
|
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