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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(3R,4R)-3-[[3-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4-hydroxy-5-methoxyphenyl]methyl]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
|
554.60
|
3.1
|
5
|
10
|
155.14
|
11
|
|
|
4-(6-Hydroxy-5,5-dimethylcyclohexen-1-yl)benzoic acid
|
246.30
|
2.5
|
2
|
3
|
57.53
|
2
|
|
|
(2S,3S,4R,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-carboxy-8-hydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid
|
796.90
|
2.2
|
9
|
15
|
253.13
|
7
|
|
|
(4aR,5R,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-5-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methoxycarbonyloxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
678.80
|
4.6
|
6
|
11
|
183.21
|
6
|
|
|
(1S,18S,19S,20S)-19-ethenyl-18-[(2S,3R,4S,5S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]oxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-2(11),4,6,8,15-pentaene-10,14-dione
|
498.50
|
-1
|
5
|
10
|
161.78
|
3
|
|
|
methyl (6aR)-1,2-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carboxylate
|
339.40
|
3.3
|
0
|
4
|
48
|
3
|
|
|
N-beta-D-glucopyranosyl indole-3-acetic acid
|
337.32
|
-0.8
|
5
|
7
|
132.38
|
4
|
|
|
[(E)-2-cyano-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-2-enyl] 4-hydroxybenzoate
|
395.40
|
-1
|
5
|
10
|
169.7
|
8
|
|
|
methyl 2-[1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]indol-3-yl]acetate
|
351.40
|
-0.4
|
4
|
7
|
121.38
|
5
|
|
|
[(E)-2-cyano-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-2-enyl] 4-hydroxy-3-methoxybenzoate
|
425.40
|
-1.1
|
5
|
11
|
178.93
|
9
|
|
|
Oblonganoside J
|
692.90
|
3.2
|
6
|
11
|
175.37
|
5
|
|
|
(6aR)-1,9,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol
|
341.40
|
3
|
1
|
5
|
51.16
|
3
|
|
|
Ardisianoside B
|
1371.50
|
-2.7
|
18
|
31
|
484.13
|
16
|
|
|
Ardisianoside D
|
885.10
|
2.1
|
9
|
16
|
246.68
|
7
|
|
|
Ardisianoside F
|
1225.40
|
-2.5
|
16
|
27
|
425.21
|
14
|
|
|
Ardisianoside G
|
1063.20
|
-0.9
|
13
|
22
|
346.06
|
10
|
|
|
Ardisianoside I
|
1091.20
|
-0.8
|
13
|
23
|
363.13
|
11
|
|
|
Ardisianoside K
|
1075.20
|
-1
|
13
|
22
|
349.36
|
12
|
|
|
Ardisianoside A
|
1533.60
|
-4.9
|
21
|
36
|
563.28
|
19
|
|
|
Ardisianoside C
|
899.10
|
2.5
|
9
|
16
|
246.68
|
7
|
|
|
Ardisianoside E
|
931.10
|
0.6
|
11
|
18
|
287.14
|
9
|
|
|
Ardisianoside H
|
1547.60
|
-5.1
|
21
|
37
|
580.35
|
19
|
|
|
Ardisianoside J
|
1089.20
|
-0.9
|
12
|
23
|
359.97
|
11
|
|
|
[(1S,2R,4S,5R,6R,7S,9R,12R)-4,5-diacetyloxy-7,12-dibenzoyloxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-6-yl]methyl benzoate
|
698.80
|
6.5
|
0
|
11
|
140.73
|
14
|
|
|
caseanigrescen D
|
504.60
|
4.8
|
1
|
8
|
108.36
|
12
|
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