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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2R,3R,4S,5S,6R)-2-[[(3R,4aS,6aS,8R,10aR,10bS)-3-[(1S)-2-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-8-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
664.80
|
-0.7
|
9
|
14
|
228.22
|
8
|
|
|
(2R,3R,4S,5S,6R)-2-[(2S)-2-[(3R,4aS,6aS,8R,10aR,10bS)-3,4a,7,7,10a-pentamethyl-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-3-yl]-2-hydroxyethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
664.80
|
-0.7
|
9
|
14
|
228.22
|
8
|
|
|
(2R,3R,4S,5S,6R)-2-[[(2S,3S,4aS,6aS,8R,10aR,10bS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-8-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
646.80
|
0.2
|
8
|
13
|
207.99
|
7
|
|
|
(2R,3R,4S,5S,6R)-2-[[(2R,3S,4aS,6aS,8R,10aR,10bS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-8-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
646.80
|
0.2
|
8
|
13
|
207.99
|
7
|
|
|
(2R,3R,4S,5S,6R)-2-[(Z)-dec-8-en-4,6-diynoxy]-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]oxane-3,4,5-triol
|
442.50
|
-1.3
|
6
|
10
|
158.3
|
9
|
|
|
3-Formyl-2-hydroxy-6-methoxycarbazole
|
227.21
|
2.7
|
3
|
3
|
73.32
|
1
|
|
|
(1S,2S,4R,6S,9R,10R,11R,14R,15R)-9-hydroxy-2,9,11,14,19,19-hexamethyl-6-prop-1-en-2-yl-17-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-oxapentacyclo[12.8.0.02,11.04,10.015,20]docosa-16,20-diene-8,13,18-trione
|
658.80
|
1.8
|
5
|
11
|
180.05
|
4
|
|
|
(1S,2S,4R,6S,9R,10R,11R,14R,15R)-9-hydroxy-6-(2-methoxypropan-2-yl)-2,9,11,14,19,19-hexamethyl-17-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-oxapentacyclo[12.8.0.02,11.04,10.015,20]docosa-16,20-diene-8,13,18-trione
|
690.80
|
1
|
5
|
12
|
189.28
|
5
|
|
|
(1S,2S,4R,6S,9S,10R,11R,14R,15R)-6-(2-methoxypropan-2-yl)-2,9,11,14,19,19-hexamethyl-17-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-oxapentacyclo[12.8.0.02,11.04,10.015,20]docosa-16,20-diene-8,13,18-trione
|
674.80
|
2
|
4
|
11
|
169.05
|
5
|
|
|
Islandicin
|
270.24
|
3.3
|
3
|
5
|
94.83
|
0
|
|
|
(2S,3R,4S,5S,6R)-2-[(3R,4S,5S,6R)-5-hydroxy-2-[(1S,2S,4S,6R,7S,8R,9S,12S,13R,14R,16R)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
871.00
|
0.5
|
9
|
17
|
255.91
|
7
|
|
|
(2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5S)-2-[(2S,3R,4S,5R)-2-[[(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-15-[(2R,5S)-5,6-dihydroxy-6-methylheptan-2-yl]-14-hydroxy-7,7,12,16-tetramethyl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
1065.20
|
-1.1
|
14
|
22
|
357.06
|
14
|
|
|
(2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5S)-2-[(2S,3R,4S,5R)-4,5-dihydroxy-2-[[(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-14-hydroxy-15-[(2R,5S)-5-hydroxy-2,6,6-trimethyloxan-2-yl]-7,7,12,16-tetramethyl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]oxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
1063.20
|
-1.4
|
13
|
22
|
346.06
|
10
|
|
|
(2R,3R,4S,5S,6R)-2-[[(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-6-[(2S,3R,4S,5R)-4,5-dihydroxy-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-14-hydroxy-15-[(2R,5S)-5-hydroxy-2,6,6-trimethyloxan-2-yl]-7,7,12,16-tetramethyl-9-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
917.10
|
-0.3
|
11
|
18
|
287.14
|
8
|
|
|
(2S,4S,6S,7R,10R,11R,13S,14R,16R)-6-[(2R,3R)-2,3-dihydroxy-6-methylheptan-2-yl]-13-hydroxy-7,11-dimethyl-14-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadec-1(18)-en-17-one
|
624.80
|
0.3
|
7
|
11
|
189.67
|
8
|
|
|
(2beta,3beta,5beta,22r)-2,20,22-Trihydroxy-6-oxocholesta-7,14-dien-3-yl beta-d-glucopyranoside
|
608.80
|
1.3
|
7
|
10
|
177.14
|
8
|
|
|
(2S,3R,10R,13R,17S)-17-[(2R,3R)-2,3-dihydroxy-6-methylheptan-2-yl]-2,6-dihydroxy-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-one
|
622.70
|
0.8
|
8
|
11
|
197.37
|
8
|
|
|
(2S,3R,5R,9R,10R,13R,14S,17R)-2,14-dihydroxy-17-[(2S,3R)-3-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
|
610.80
|
1.5
|
7
|
10
|
177.14
|
8
|
|
|
(2S,3R,5S,9R,10R,13R,14S,17S)-17-[(2R,3R)-2,3-dihydroxy-6-methylheptan-2-yl]-2,14-dihydroxy-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
|
626.80
|
0.3
|
8
|
11
|
197.37
|
8
|
|
|
(E)-2-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-2-enenitrile
|
259.26
|
-1.8
|
4
|
7
|
123.17
|
4
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[[(1S,2S,4S,6Z,7S,8R,9S,12S,13R,16S)-7-hydroxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutylidene]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
1047.20
|
-1.8
|
13
|
22
|
346.06
|
13
|
|
|
(3S,4aR,6aR,6bS,8aS,11R,12S,12aR,14aR,14bR)-6a,6b,11,12,14b-pentamethyl-4-methylidene-8a-prop-1-en-2-yl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol
|
436.70
|
8.7
|
1
|
1
|
20.23
|
1
|
|
|
[(3S,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-6a,6b,8a,11,12,14b-hexamethyl-4-methylidene-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate
|
452.70
|
8.4
|
0
|
2
|
26.3
|
2
|
|
|
Methyl 3-(6,7-dimethoxy-1-benzofuran-5-yl)propanoate
|
264.27
|
2.4
|
0
|
5
|
57.9
|
6
|
|
|
(4R)-4-[(5R,7R,8R,9R,10R,13S,17S)-7-hydroxy-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]oxolan-2-one
|
412.60
|
4.4
|
1
|
4
|
63.6
|
1
|
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