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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)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-4-[(2S,3R,4S,5R)-5-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-5-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-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
|
1839.90
|
-5.8
|
24
|
43
|
676.57
|
26
|
|
|
[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9S,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-formyl-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1219.40
|
-2.1
|
14
|
26
|
409.66
|
14
|
|
|
[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2S,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1075.20
|
-0.9
|
13
|
22
|
353.9
|
12
|
|
|
2,6,10,14,19,23,27,31-Octamethyldotriaconta-2,6,10,14,18,22,26,30-octaene
|
547.00
|
15.3
|
0
|
0
|
0
|
21
|
|
|
N-Caffeoyldopamine
|
315.32
|
2
|
5
|
5
|
110.02
|
5
|
|
|
(1R,4S,5R,9S,10S,13R)-5,9-dimethyl-14-methylidene-2-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
|
316.40
|
3.6
|
1
|
3
|
54.37
|
1
|
|
|
(1R,2S,4S,6R,7S,8R,9S,12S,13S,16S,18S)-16-[(2R,3R,4S,5R,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-6-hydroxy-7,9,13-trimethyl-6-[(3S)-3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-10-one
|
935.10
|
-0.9
|
12
|
20
|
324.44
|
13
|
|
|
(1R,2S,4S,6R,7S,8R,9S,12S,13S,16S,18S)-6-hydroxy-16-[(2R,3R,4S,5R,6R)-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-7,9,13-trimethyl-6-[(3S)-3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-10-one
|
1081.20
|
-2.6
|
14
|
24
|
383.36
|
15
|
|
|
(3R,4aR,6aR,8S,10aS,10bR)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-8-ol
|
306.50
|
4.4
|
1
|
2
|
29.46
|
1
|
|
|
(1S,3R,4R,5S,8S)-3,4,8-trihydroxy-2,6-dioxabicyclo[3.2.1]octan-7-one
|
176.12
|
-2.1
|
3
|
6
|
96.22
|
0
|
|
|
alpha-Ocimene
|
136.23
|
4.3
|
0
|
0
|
0
|
4
|
|
|
4-[4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]butan-2-one
|
326.34
|
0
|
4
|
7
|
116.45
|
6
|
|
|
(1S,8aS)-1-hydroxy-1,4-dimethyl-7-propan-2-ylidene-2,3,8,8a-tetrahydroazulene-5,6-dione
|
248.32
|
1.6
|
1
|
3
|
54.37
|
0
|
|
|
(1R,2R,4S,6S,7S,8R,10S,11S,12R,14S,16R,18R)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-14-phenyl-16-prop-1-en-2-yl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadecan-5-one
|
484.50
|
1.6
|
3
|
8
|
117.98
|
3
|
|
|
[(1R,2R,4S,6S,7S,8R,10S,11S,12R,14S,16S,17R,18R)-6,7-dihydroxy-4,18-dimethyl-5-oxo-14-phenyl-17-[(E)-3-phenylprop-2-enoyl]oxy-16-prop-1-en-2-yl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadecan-8-yl]methyl hexadecanoate
|
869.10
|
10.7
|
2
|
11
|
150.35
|
23
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxycarbonyl-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxane-2-carboxylic acid
|
1249.40
|
-0.6
|
15
|
27
|
429.89
|
14
|
|
|
Basellasaponin A
|
971.00
|
1.9
|
10
|
21
|
335.19
|
12
|
|
|
Basellasaponin B
|
969.00
|
1.7
|
9
|
21
|
332.03
|
12
|
|
|
Basellasaponin C
|
985.00
|
1.8
|
10
|
22
|
352.26
|
12
|
|
|
Basellasaponin D
|
985.00
|
1.4
|
10
|
22
|
352.26
|
12
|
|
|
methyl (4S,5E,6S)-4-[2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxan-3-yl]oxy-2-oxoethyl]-5-ethylidene-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
|
686.70
|
-2.2
|
8
|
17
|
260.59
|
14
|
|
|
Neonuezhenide
|
702.70
|
-2.6
|
9
|
18
|
280.82
|
14
|
|
|
Glycoside ST-J
|
1103.20
|
0.5
|
13
|
23
|
370.97
|
12
|
|
|
[(2R)-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropyl] (Z)-octadec-9-enoate
|
879.40
|
20.3
|
0
|
6
|
78.9
|
50
|
|
|
10-[(3-Acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-5-hydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one
|
532.50
|
5.1
|
5
|
9
|
153.75
|
4
|
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