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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Dregeoside Aa1
|
939.10
|
3.2
|
3
|
17
|
213.43
|
16
|
|
|
Epipterosin L 2'-O-glucoside
|
426.50
|
-0.5
|
6
|
9
|
156.91
|
6
|
|
|
Ohchinin
|
602.70
|
4.2
|
1
|
8
|
104.43
|
8
|
|
|
(2R,3R,4S,5S,6R)-2-[(2S)-2-[(1R,2S,2'S,4aR,4bR,6aR,7R,8S,10aR,10bR,12aS)-8-[(2R,3R,4S,5S,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-1-hydroxy-7-(hydroxymethyl)-4a,4b,7,10a-tetramethylspiro[3,4,5,6,6a,8,9,10,10b,11,12,12a-dodecahydro-1H-chrysene-2,5'-oxane]-2'-yl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
979.20
|
0.2
|
13
|
20
|
327.6
|
12
|
|
|
Protoplumericin A
|
778.70
|
-1.3
|
8
|
19
|
286.89
|
13
|
|
|
Yuexiandajisu E
|
350.40
|
1.9
|
3
|
5
|
86.99
|
0
|
|
|
Yuexiandajisu D
|
350.40
|
1.9
|
3
|
5
|
86.99
|
0
|
|
|
Ebracteolatanolide A
|
332.40
|
2.9
|
1
|
4
|
59.06
|
0
|
|
|
Heteroclitin B
|
498.60
|
5.8
|
0
|
8
|
81.68
|
7
|
|
|
Leptocarpinine
|
394.40
|
3.3
|
0
|
6
|
66.23
|
3
|
|
|
Isosakuranin
|
448.40
|
0.9
|
5
|
10
|
155.14
|
5
|
|
|
ent-9-Hydroxy-15-oxo-16-kauren-19-oic acid beta-D-glucopyranosyl ester
|
494.60
|
1
|
5
|
9
|
153.75
|
4
|
|
|
CID 102004622
|
318.40
|
3.9
|
2
|
3
|
57.53
|
1
|
|
|
[(2S,4R,8S,9R,12R)-1,12-dihydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl] 2-methylpropanoate
|
368.40
|
1.8
|
2
|
7
|
102.29
|
3
|
|
|
2',7-Dihydroxy-5,8-dimethoxyflavanone
|
316.30
|
2.1
|
2
|
6
|
85.22
|
3
|
|
|
6-Methyl-7-O-methylaromadendrin
|
316.30
|
2.5
|
3
|
6
|
96.22
|
2
|
|
|
Dregeoside A11
|
1101.30
|
1.6
|
6
|
22
|
292.58
|
19
|
|
|
(2S)-2,3-Dihydro-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6,8-dimethyl-4H-1-benzopyran-4-one
|
314.30
|
3.4
|
2
|
5
|
75.99
|
2
|
|
|
(8S)-8-(2,4-dihydroxyphenyl)-5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one
|
422.50
|
5.3
|
3
|
6
|
96.22
|
4
|
|
|
(E)-3-[(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide
|
491.50
|
3.5
|
4
|
7
|
117.48
|
9
|
|
|
(1R)-7,8,9-trihydroxy-3,5-dioxo-1,2-dihydrocyclopenta[c]isochromene-1-carboxylic acid
|
292.20
|
-0.4
|
4
|
8
|
145.27
|
1
|
|
|
(2S,3R,4R,5S,6S)-2-[(2S,3R,4S,5S)-4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-[[(1S,2R,5R,7S,10R,11R,14R,15S,16S,18S,20S)-16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
1045.20
|
0.5
|
11
|
21
|
314.83
|
10
|
|
|
Cratoxylone
|
428.50
|
4.9
|
4
|
7
|
120.36
|
6
|
|
|
[(1S,2S,3S,4S,6S,8S,9R,10S,13S,16S,17S)-11-ethyl-3,8,9-trihydroxy-4,6,16-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl] 2-acetamidobenzoate
|
600.70
|
0.5
|
4
|
10
|
147.02
|
8
|
|
|
[(2S,3R,4S,5R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-5,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1209.30
|
-2.5
|
16
|
27
|
433.05
|
14
|
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