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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2R,3S,4R,5S)-2-[(1R,2S,3'S,4S,5'S,6S,7S,8R,9S,12S,13S,16S,18R)-16-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-3'-yl]oxyoxane-3,4,5-triol
|
859.00
|
0.3
|
9
|
17
|
255.91
|
7
|
|
|
(2R,3R,4S,5S,6R)-2-[(2S)-4-[(1R,2S,4S,8S,9S,12S,13S,16S,18R)-16-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-6-en-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
873.00
|
0.4
|
10
|
17
|
266.91
|
12
|
|
|
2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
|
286.23
|
-0.4
|
5
|
8
|
136.68
|
3
|
|
|
(1R,3S,6S)-6-[(1E,3Z,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,4R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol
|
584.90
|
10.4
|
2
|
3
|
52.99
|
10
|
|
|
[(3S,4R,5S)-5-[(2S,3R,4S,5R)-2-[2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate
|
859.80
|
|
12
|
20
|
335.74
|
13
|
|
|
3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
|
902.80
|
-3.8
|
14
|
24
|
387.27
|
11
|
|
|
[(1R,2S,4S,5S,9R,10S,13R)-2-acetyloxy-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl hexadecanoate
|
584.90
|
12.4
|
0
|
4
|
52.6
|
19
|
|
|
Neochrome
|
600.90
|
8.4
|
3
|
4
|
69.92
|
8
|
|
|
(1R,8S,8aS)-3,6-dimethyl-1-propan-2-yl-4,7,8,8a-tetrahydro-2H-azulene-1,8-diol
|
236.35
|
1.6
|
2
|
2
|
40.46
|
1
|
|
|
(3aS,5aR,9bS)-5a,9-dimethyl-3a,4,5,7,8,9b-hexahydro-3H-benzo[g][1]benzofuran-2,6-dione
|
234.29
|
0.8
|
0
|
3
|
43.37
|
0
|
|
|
[(1R,4S,6S,8S,9S,13R,14S,16R)-6-(furan-3-yl)-16-methylspiro[3,5-dioxatetracyclo[6.5.3.01,9.04,8]hexadecane-13,2'-oxirane]-14-yl] acetate
|
388.50
|
2.5
|
0
|
6
|
70.43
|
3
|
|
|
(1S,2R,4R,6S,11R,12S,15R,18S,19R,20R,21S,23R,26R)-15-hydroxy-11,18,21-trimethyl-5,17,24,28,29-pentaoxanonacyclo[17.9.1.11,20.02,12.04,6.06,11.015,19.018,23.021,26]triacont-8-ene-10,16,25,30-tetrone
|
526.50
|
0.1
|
1
|
10
|
137.96
|
0
|
|
|
(6S,8R,11R,12S,15S,16R)-15-[(1S)-1-aminoethyl]-N,7,7,12,16-pentamethyltetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-dien-6-amine
|
370.60
|
4.9
|
2
|
2
|
38.05
|
2
|
|
|
CID 101528285
|
418.40
|
0.9
|
1
|
8
|
115.57
|
4
|
|
|
(1S,3S,6R,7S,8S,11R,12S,15R,16S,19S,21R)-7-(hydroxymethyl)-3,7,11,16,20,20-hexamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricosane-1,8,19-triol
|
476.70
|
6.2
|
4
|
4
|
80.92
|
1
|
|
|
(1S,3S,6R,8S,11R,12S,15R,16S,19S,21R)-3,7,7,11,16,20,20-heptamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricosane-1,8,19-triol
|
460.70
|
6.9
|
3
|
3
|
60.69
|
0
|
|
|
(5E,9E,13E,17E,21E,25E,29E)-2,6,10,14,18,22,26,30,34-nonamethylpentatriaconta-1,5,9,13,17,21,25,29,33-nonaene
|
601.00
|
16.9
|
0
|
0
|
0
|
24
|
|
|
(E)-4-(2,3-dimethoxy-7,9,10,11,11a,12-hexahydronaphtho[2,1-f]indolizin-6-yl)but-3-en-2-ol
|
353.50
|
3.7
|
1
|
4
|
41.93
|
4
|
|
|
[(2E)-2-[(1S,6E,10S)-6,10-dimethyl-4-oxo-11-oxabicyclo[8.1.0]undec-6-en-3-ylidene]propyl] acetate
|
292.40
|
2.1
|
0
|
4
|
55.9
|
3
|
|
|
2-[(1R,4Z,8S)-4,8-dimethyl-2,9-dioxocyclodec-4-en-1-yl]propyl acetate
|
294.40
|
2
|
0
|
4
|
60.44
|
4
|
|
|
(3R,3aR,5aR,5bR,7aS,11aS,13aS,13bR)-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-2,3,4,5,5b,6,7,7a,9,10,11,13b-dodecahydro-1H-cyclopenta[a]chrysen-13-one
|
424.70
|
9.4
|
0
|
1
|
17.07
|
1
|
|
|
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-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
|
913.10
|
1.8
|
10
|
17
|
274.75
|
9
|
|
|
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(1S,17S,18S,19S)-18-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,15-tetraen-17-yl]oxy]oxane-3,4,5-triol
|
611.60
|
-3.2
|
8
|
15
|
220.46
|
6
|
|
|
(4aS,10aR)-6-hydroxy-7-(1-hydroxypropan-2-yl)-1,1,4a-trimethyl-3,4,10,10a-tetrahydrophenanthrene-2,9-dione
|
330.40
|
2.6
|
2
|
4
|
74.6
|
2
|
|
|
(2S,4aS,10aR)-2,6-dihydroxy-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
|
316.40
|
4.1
|
2
|
3
|
57.53
|
1
|
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