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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(4S,4aR,5S,8aR,9aS)-4a,5,6,7,8,8a,9,9a-Octahydro-4-hydroxy-9a-methoxy-3,4a,5-trimethylnaphtho[2,3-b]furan-2(4H)-one
|
280.36
|
2.3
|
1
|
4
|
55.76
|
1
|
|
|
(4S,4aR,5S,8aR,9aR)-4-hydroxy-9a-methoxy-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-2-one
|
280.36
|
2.3
|
1
|
4
|
55.76
|
1
|
|
|
(4S,4aR,5S,8aR,9aR)-4-hydroxy-3,4a,5-trimethyl-4,5,6,7,8,8a,9,9a-octahydrobenzo[f][1]benzofuran-2-one
|
250.33
|
2.6
|
1
|
3
|
46.53
|
0
|
|
|
(4aR,5S,8aR,9aS)-9a-hydroxy-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydrobenzo[f][1]benzofuran-2,4-dione
|
264.32
|
2.3
|
1
|
4
|
63.6
|
0
|
|
|
(4S,4aR,5S,8aR,9aS)-9a-hydroxy-4-methoxy-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-2-one
|
280.36
|
2.3
|
1
|
4
|
55.76
|
1
|
|
|
(1R,3R,7S,8R,9R)-7,8,11-trimethyl-13,14-dioxatetracyclo[7.4.1.01,10.03,8]tetradec-10-en-12-one
|
248.32
|
2.8
|
0
|
3
|
35.53
|
0
|
|
|
(2r,3s)-3,5,7,4'-Tetrahydroxy-3',5'-dimethoxyflavanone
|
348.30
|
1.8
|
4
|
8
|
125.68
|
3
|
|
|
(3aR,4R,6aR,9aR,9bR)-4-[2-hydroxy-3-(4-hydroxyphenyl)propanoyl]-9-methyl-3,6-dimethylidene-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-2-one
|
572.60
|
0.3
|
6
|
11
|
183.21
|
7
|
|
|
[(3aR,4R,6aR,9aR,9bR)-9-methyl-3,6-dimethylidene-2-oxo-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] acetate
|
466.50
|
-0.5
|
4
|
10
|
151.98
|
5
|
|
|
(4aS,10aS)-6-hydroxy-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydrophenanthrene-2,9-dione
|
314.40
|
3.8
|
1
|
3
|
54.37
|
1
|
|
|
3-[(3S,3aR,5aR,6R,7R,9aR,9bR)-3-[(2S)-5-hydroxy-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7-(2-hydroxypropan-2-yl)-6,9a,9b-trimethyl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoic acid
|
508.70
|
5
|
4
|
6
|
107.22
|
6
|
|
|
(2R,3R,4R,5R,6S)-2-[[(2R,3R,4S,5R,6R)-3-hydroxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]oxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
|
808.90
|
-1.1
|
10
|
18
|
276.14
|
16
|
|
|
[(2S,3R,4R,5S,6S)-3-acetyloxy-5-hydroxy-2-[[(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl]oxy]-6-methyloxan-4-yl] (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate
|
726.70
|
-1.5
|
7
|
18
|
262.12
|
13
|
|
|
[(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (Z)-3-(4-hydroxyphenyl)prop-2-enoate
|
608.60
|
-0.1
|
8
|
14
|
225.06
|
11
|
|
|
(1R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10-[(2R,3R,4S,5R,6R)-3-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-11-hydroxy-1,6a,6b,9,9,12a-hexamethyl-2-methylidene-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
1043.20
|
-0.2
|
12
|
21
|
333.67
|
10
|
|
|
(1R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10-[(2R,3R,4S,5R,6R)-3-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-11-hydroxy-1,6a,6b,9,9,12a-hexamethyl-2-methylidene-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
1059.20
|
-0.7
|
13
|
22
|
353.9
|
11
|
|
|
(1R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-11-hydroxy-10-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-1,6a,6b,9,9,12a-hexamethyl-2-methylidene-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
897.10
|
0.9
|
10
|
17
|
274.75
|
8
|
|
|
(1R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-11-hydroxy-1,6a,6b,9,9,12a-hexamethyl-2-methylidene-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
764.90
|
2.4
|
8
|
13
|
215.83
|
6
|
|
|
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-5-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate
|
1045.20
|
0.9
|
12
|
21
|
333.67
|
11
|
|
|
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-5-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1045.20
|
1
|
12
|
21
|
333.67
|
11
|
|
|
I(2)-D-Glucopyranosiduronic acid, (3I(2),4I(2),22I(2))-22-[(2-O-I(2)-D-glucopyranosyl-I(2)-D-glucopyranosyl)oxy]-23-hydroxyolean-12-en-3-yl O-6-deoxy-I+/--L-mannopyranosyl-(1a2)-O-I(2)-D-galactopyranosyl-(1a2)-
|
1267.40
|
-0.8
|
17
|
28
|
453.28
|
15
|
|
|
Comploside II
|
1105.30
|
0.8
|
14
|
23
|
374.13
|
12
|
|
|
Spirostan-12-one, 3-[(O-I+/--L-arabinopyranosyl-(1a6)-O-[I(2)-D-glucopyranosyl-(1a2)]-I(2)-D-glucopyranosyl)oxy]-, (3I(2),5I(2),25R)-
|
887.00
|
-0.4
|
9
|
18
|
272.98
|
8
|
|
|
I(2)-D-Glucopyranoside, (3I(2),5I(2),25R)-spirostan-3-yl O-I+/--L-arabinopyranosyl-(1a6)-O-[I(2)-D-glucopyranosyl-(1a2)]-
|
873.00
|
1.2
|
9
|
17
|
255.91
|
8
|
|
|
I(2)-D-Glucopyranoside, (3I(2),5I(2),22I+/-,25R)-26-(I(2)-D-glucopyranosyloxy)-22-methoxyfurostan-3-yl 2-O-I(2)-D-glucopyranosyl-
|
935.10
|
1.3
|
11
|
19
|
296.37
|
14
|
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