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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)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(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-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
|
1075.20
|
0.4
|
13
|
22
|
353.9
|
12
|
|
|
I(2)-D-Glucopyranosyl (3I(2),4I+/-)-3-[(2-O-I(2)-D-glucopyranosyl-I+/--L-arabinopyranosyl)oxy]-23-hydroxyolean-12-en-28-oate
|
929.10
|
1.3
|
11
|
18
|
294.98
|
10
|
|
|
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(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-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1091.20
|
-0.8
|
14
|
23
|
374.13
|
13
|
|
|
[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1117.30
|
-0.3
|
12
|
23
|
359.97
|
14
|
|
|
(3S,22S)-10,11,15,16-tetramethoxy-4,21-dimethyl-13,29-dioxa-4,21-diazaheptacyclo[28.2.2.114,18.124,28.03,8.07,12.022,36]hexatriaconta-1(33),7(12),8,10,14(36),15,17,24(35),25,27,30(34),31-dodecaen-27-ol
|
638.70
|
6
|
1
|
9
|
82.09
|
4
|
|
|
methyl (1R,2R,4aS,6aR,6aS,6bR,8aR,9R,10S,11R,12aR,14bS)-1,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
518.70
|
4.6
|
4
|
6
|
107.22
|
3
|
|
|
CID 101625116
|
262.40
|
4.7
|
1
|
2
|
32.76
|
9
|
|
|
(4E,9E)-heptadeca-1,4,9-trien-6-yne-3,3-diol
|
262.40
|
5
|
2
|
2
|
40.46
|
9
|
|
|
(1S,4R,7R,9R,10R,13R,14R)-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-7,14-diol
|
322.50
|
3.4
|
3
|
3
|
60.69
|
1
|
|
|
(1S,4S,5R,9S,10R,13R,14R)-5,14-bis(hydroxymethyl)-9-methyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
|
336.50
|
3.6
|
3
|
4
|
77.76
|
3
|
|
|
(2R,3R,4S,5S,6R)-2-[[(2R,3S)-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-[(E)-3-hydroxyprop-1-enyl]-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
550.60
|
0.3
|
6
|
12
|
176.76
|
10
|
|
|
(2R,3R,4S,5S,6R)-2-[[(2S,3R)-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-[(E)-3-hydroxyprop-1-enyl]-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
550.60
|
0.3
|
6
|
12
|
176.76
|
10
|
|
|
(1S,2R,3R,4S,5S,6S,8R,9S,10S,13R,16S,17R,18S)-11-ethyl-6,16,18-trimethoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,9-triol
|
437.60
|
0.1
|
3
|
7
|
91.62
|
4
|
|
|
(4R,4aS,5R,8S,8aR)-4-hydroxy-5-methyl-7-oxo-8-(3-oxoprop-1-en-2-yl)-4,4a,5,6,8,8a-hexahydro-3H-naphthalene-2-carboxylic acid
|
278.30
|
0.4
|
2
|
5
|
91.67
|
3
|
|
|
1-[(1S,2S,3S,4S)-2,3-dimethyl-4-(2,4,5-trimethoxyphenyl)cyclobutyl]-2,4,5-trimethoxybenzene
|
416.50
|
4.9
|
0
|
6
|
55.38
|
8
|
|
|
(3S,8S,9R,10R,13R,14S,17R)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-17-[(2R,5R)-5-hydroxy-6-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one
|
945.10
|
0.8
|
11
|
18
|
294.98
|
13
|
|
|
(3S,8S,9R,10R,13R,14S,17R)-17-[(2R,5R)-6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-methylheptan-2-yl]-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one
|
1107.30
|
-0.8
|
14
|
23
|
374.13
|
16
|
|
|
(2S,8S,9R,10R,13R,14S,17S)-17-[(2R)-2-hydroxy-6-methyl-3-oxo-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-4,4,9,13,14-pentamethyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione
|
827.00
|
-0.5
|
9
|
16
|
270.2
|
11
|
|
|
(5S,6R,7S,8R)-5,6,7,8-tetrahydroxy-5,6,7,8-tetrahydrochromen-4-one
|
214.17
|
-3
|
4
|
6
|
111.13
|
0
|
|
|
Ilwensisaponin A
|
1073.30
|
0.3
|
12
|
21
|
325.83
|
11
|
|
|
Sugetriol triacetate
|
378.50
|
2.3
|
0
|
6
|
78.9
|
6
|
|
|
(2R,3R,5S)-5-[(3S,5R,9R,10R,13S,14S,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-(2-hydroxypropan-2-yl)oxan-3-ol
|
474.70
|
6.1
|
3
|
4
|
69.92
|
2
|
|
|
(1R,3R,6R,8S,12S,15R,16R)-15-(7-hydroxy-6-methylhept-1-en-2-yl)-16-methylpentacyclo[9.7.0.01,3.03,8.012,16]octadec-10-ene-6,12-diol
|
414.60
|
4.9
|
3
|
3
|
60.69
|
6
|
|
|
5,8-dihydroxy-2-[(1E)-4-methylpenta-1,3-dienyl]naphthalene-1,4-dione
|
270.28
|
4.1
|
2
|
4
|
74.6
|
2
|
|
|
[(1R,2S,3S,4R,5R,6R,7S,9R)-4-acetyloxy-5-benzoyloxy-2,3-dihydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate
|
552.60
|
3.7
|
2
|
9
|
128.59
|
8
|
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