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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Biorobin
|
594.50
|
-0.9
|
9
|
15
|
249.2
|
6
|
|
|
(3S,6R,8S,10R,12R,13R,16S,17R)-8-tert-butyl-6,12,17-trihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione
|
424.40
|
-0.4
|
3
|
10
|
148.82
|
1
|
|
|
[(2R,3S,4R,5S,6R)-3,4,5-tris[(3,4,5-trihydroxybenzoyl)oxy]-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-2-yl] 2-[[(1S,7S,8R,26R,28S,29R,38R)-1,13,14,15,18,20,34,35,39,39-decahydroxy-2,5,10,23,30-pentaoxo-28-(3,4,5-trihydroxybenzoyl)oxy-6,9,24,27,31,40-hexaoxaoctacyclo[34.3.1.04,38.07,26.08,29.011,16.017,22.032,37]tetraconta-3,11,13,15,17,19,21,32(37),33,35-decaen-19-yl]oxy]-3,4,5-trihydroxybenzoate
|
1891.30
|
1.9
|
28
|
53
|
883.43
|
21
|
|
|
Xanthiazone
|
239.29
|
0.1
|
2
|
4
|
91.7
|
1
|
|
|
(8S,9R)-9-hydroxy-8-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-8,9-dihydrofuro[2,3-h]chromen-2-one
|
424.40
|
-0.8
|
5
|
10
|
159.05
|
4
|
|
|
(+)-4-[(R)-2-Hydroxy-3-methoxy-3-methylbutoxy]-7H-furo[3,2-g][1]benzopyran-7-one
|
318.32
|
2.1
|
1
|
6
|
82.04
|
5
|
|
|
Zeylanidine-B
|
366.30
|
-1.1
|
1
|
9
|
124.19
|
2
|
|
|
1,8,10-Trihydroxy-3-methyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracen-9-one
|
418.40
|
0
|
7
|
9
|
167.91
|
2
|
|
|
Calipteryxin
|
426.50
|
4.6
|
0
|
7
|
92.04
|
6
|
|
|
Cirsimarin
|
476.40
|
1.2
|
5
|
11
|
168.28
|
6
|
|
|
ent-16-Kaurene-3beta,15beta,18-triol
|
320.50
|
3.2
|
3
|
3
|
60.69
|
1
|
|
|
(1R,4S,5S,9S,10S,13R,15S)-15-hydroxy-5-(hydroxymethyl)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-6-one
|
318.40
|
2.9
|
2
|
3
|
57.53
|
1
|
|
|
7-Hydroxy-6-methoxy-3-prenylcoumarin
|
260.28
|
3.5
|
1
|
4
|
59.67
|
3
|
|
|
(3aR,7aR)-3a-hydroxy-4,4,7a-trimethyl-3,5,6,7-tetrahydro-1-benzofuran-2-one
|
198.26
|
1.3
|
1
|
3
|
46.53
|
0
|
|
|
(1R,2R,4R)-1-methyl-4-prop-1-en-2-ylcyclohexane-1,2-diol
|
170.25
|
1.5
|
2
|
2
|
40.46
|
1
|
|
|
Karounidiol
|
440.70
|
7
|
2
|
2
|
40.46
|
1
|
|
|
(2r,3r,5s,6r)-2,6-Bis(hydroxymethyl)piperidine-3,4,5-triol
|
193.20
|
-2.4
|
6
|
6
|
113.18
|
2
|
|
|
(1R,7R,10R)-10,11,11-trimethyltricyclo[5.3.1.01,5]undec-4-ene-4-carboxylic acid
|
234.33
|
3.6
|
1
|
2
|
37.3
|
1
|
|
|
Peonidin 3,5-diglucoside
|
661.00
|
|
10
|
16
|
259.75
|
8
|
|
|
(2S,3S,4R,5R,6S)-6-[5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)chromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
|
494.40
|
0.3
|
9
|
14
|
247.81
|
4
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[(1S,2S,4S,5'S,6S,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-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
|
868.10
|
1.1
|
9
|
16
|
238.48
|
7
|
|
|
Teucrin A
|
344.40
|
1.3
|
1
|
6
|
85.97
|
1
|
|
|
Radicamine B
|
225.24
|
-0.6
|
5
|
5
|
92.95
|
2
|
|
|
Quercetin 3,7-dirhamnoside
|
594.50
|
-0.4
|
9
|
15
|
249.2
|
5
|
|
|
2-(2,4-Dihydroxy-5-prenylphenyl)-5,6-methylenedioxybenzofuran
|
338.40
|
5
|
2
|
5
|
72.06
|
3
|
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