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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-[[(3S,4aR,6aR,6aR,6bR,8aR,11S,12S,12aS,14aR,14bR)-11-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,12,14b-heptamethyl-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
622.90
|
5.3
|
6
|
8
|
139.84
|
4
|
|
|
[(2R,3R,4S,5S,6R)-2-[[(3S,4aR,6aR,6aR,6bR,8S,8aS,11S,12S,12aS,14aR,14bR)-8,11-dihydroxy-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] hydrogen sulfate
|
702.90
|
5
|
6
|
11
|
191.59
|
5
|
|
|
[(2R,3R,4S,5S,6R)-2-[[(3S,4aR,6aR,6aR,6bR,8aR,11S,12S,12aS,14aR,14bR)-11-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,12,14b-heptamethyl-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] hydrogen sulfate
|
702.90
|
5
|
6
|
11
|
191.59
|
6
|
|
|
(1R,2R,4S,5R,8R,10S,13R,14R,18S,21S)-2-hydroxy-4,5,9,9,13,20,20-heptamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-22-oxahexacyclo[19.2.1.01,18.04,17.05,14.08,13]tetracos-16-en-23-one
|
795.00
|
2
|
8
|
14
|
225.06
|
6
|
|
|
(1R,2R,4S,5R,8R,10S,13R,14R,18S,21S)-10-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2-hydroxy-4,5,9,9,13,20,20-heptamethyl-22-oxahexacyclo[19.2.1.01,18.04,17.05,14.08,13]tetracos-16-en-23-one
|
764.90
|
2.6
|
7
|
13
|
204.83
|
5
|
|
|
(3S,8S,9R,10R,12R,13R,14R,17S)-17-[(1S)-1-hydroxyethyl]-3-[(2R,4R,5R,6R)-5-[(2S,4S,5S,6R)-4-hydroxy-6-methyl-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthrene-8,12,14,17-tetrol
|
818.90
|
-1.6
|
10
|
17
|
266.91
|
9
|
|
|
(2S,3R,4S,5R)-2-[(2R,3S,4S,6S)-6-[(3R,4R,5R,6S)-4,5-dihydroxy-6-[(2R,3S,4S,6R)-4-hydroxy-6-[[(3S,8R,9S,10R,13R,14S,17S)-14-hydroxy-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyloxan-3-yl]oxyoxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxyoxane-3,4,5-triol
|
859.00
|
-0.4
|
9
|
17
|
255.91
|
9
|
|
|
5-hydroxy-2,2-dimethyl-7,10-bis(2-methylbut-3-en-2-yl)-3H-pyrano[3,2-g]chromene-4,8-dione
|
396.50
|
6.1
|
1
|
5
|
76.74
|
4
|
|
|
5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(4-hydroxyphenyl)methyl]-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
|
538.50
|
1.8
|
8
|
11
|
201.28
|
5
|
|
|
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(4-hydroxyphenyl)methyl]-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
|
538.50
|
1.8
|
8
|
11
|
201.28
|
5
|
|
|
5,7-dihydroxy-8-[(4-hydroxyphenyl)methyl]-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
|
700.60
|
0
|
11
|
16
|
280.43
|
8
|
|
|
(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(E,2R)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
414.70
|
9.4
|
1
|
1
|
20.23
|
5
|
|
|
(1R,2R,4S,5R,8R,10S,13R,14R,18S,21S)-10-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2-hydroxy-4,5,9,9,13,20,20-heptamethyl-22-oxahexacyclo[19.2.1.01,18.04,17.05,14.08,13]tetracos-16-en-23-one
|
927.10
|
0.5
|
10
|
18
|
283.98
|
8
|
|
|
(3S,4R,8S,9S,10R,13S,14S,17S)-17-[(2S)-2-hydroxy-6-methyl-5-methylideneheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,4-diol
|
430.70
|
5.9
|
3
|
3
|
60.69
|
5
|
|
|
(2Z)-2-[(2R,3S,4S)-4-hydroxy-3-(hydroxymethyl)-2-(3-hydroxypropyl)-4-methyl-3-[(3E,5E)-4-methyl-6-[(1R,3S)-2,2,3-trimethyl-6-methylidenecyclohexyl]hexa-3,5-dienyl]cyclohexylidene]propanal
|
486.70
|
5.8
|
3
|
4
|
77.76
|
10
|
|
|
[(2R,3S,4S,5R,6R)-6-[(2S,3R)-3-cyanobutan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (2S,3R)-2-ethyl-2,3-dihydroxybutanoate
|
391.40
|
-1.5
|
5
|
10
|
169.7
|
9
|
|
|
[(2R,3S,4S,5R,6R)-6-[(2R,3R)-3-cyanobutan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (2S,3R)-2-ethyl-2,3-dihydroxybutanoate
|
391.40
|
-1.5
|
5
|
10
|
169.7
|
9
|
|
|
[(2R,3S,4S,5R,6R)-6-[(2S,3S)-3-cyanobutan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (2S,3R)-2-ethyl-2,3-dihydroxybutanoate
|
391.40
|
-1.5
|
5
|
10
|
169.7
|
9
|
|
|
[(2R,3S,4S,5R,6R)-6-[(E)-3-cyano-4-hydroxybut-2-enoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (2S,3R)-2-ethyl-2,3-dihydroxybutanoate
|
405.40
|
-3
|
6
|
11
|
189.93
|
10
|
|
|
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-propan-2-yloxyoxan-2-yl]methyl (2S,3R)-2-ethyl-2,3-dihydroxybutanoate
|
352.38
|
-1.4
|
5
|
9
|
145.91
|
8
|
|
|
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R)-2-hydroxybutoxy]oxan-2-yl]methyl (2S,3R)-2-ethyl-2,3-dihydroxybutanoate
|
382.40
|
-1.9
|
6
|
10
|
166.14
|
10
|
|
|
Piperettine
|
311.40
|
4.1
|
0
|
3
|
38.77
|
4
|
|
|
cyclo[Ile-Met(O2)-Leu-Ile-Pro-Pro-Phe-Phe-Val]
|
1090.40
|
5.8
|
7
|
11
|
286.84
|
14
|
|
|
1beta-Hydroxycryptotanshinone
|
312.40
|
2.3
|
1
|
4
|
63.6
|
0
|
|
|
(2'S,3S,4R,4aR,7R,8R,8aR)-8-[(1R)-2-carboxy-1-hydroxyethyl]-3-[(S)-furan-3-yl-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-7-(2-hydroxypropan-2-yl)-3,4a,8-trimethyl-5-oxospiro[2,6,7,8a-tetrahydro-1H-naphthalene-4,3'-oxirane]-2'-carboxylic acid
|
670.70
|
-1.2
|
8
|
15
|
257.18
|
10
|
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