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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
10-Chloroheptadec-16-en-4,6-diyne-8,9-diol
|
296.80
|
4.5
|
2
|
2
|
40.46
|
10
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,16S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
887.10
|
1.7
|
9
|
17
|
255.91
|
8
|
|
|
2,3-Dihydro-3-hydroxypyrrolo(2,1-b)quinazolin-9(1H)-one hydrochloride
|
238.67
|
|
2
|
3
|
55.12
|
0
|
|
|
Torosaflavone D
|
370.30
|
2.6
|
4
|
8
|
137.43
|
4
|
|
|
(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,16S,18S)-16-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one
|
1049.20
|
-2
|
12
|
23
|
352.13
|
11
|
|
|
(1S,4R,10S,13S,16S,19S)-27-methoxy-13-[(4-methoxyphenyl)methyl]-4,12,16,18,32-pentamethyl-25-oxa-3,6,12,15,18,32-hexazapentacyclo[17.12.2.221,24.126,30.06,10]hexatriaconta-21,23,26,28,30(34),35-hexaene-2,5,7,11,14,17,33-heptone
|
810.90
|
3
|
2
|
10
|
184.2
|
4
|
|
|
Derrichalcone
|
452.50
|
3.9
|
3
|
7
|
105.45
|
4
|
|
|
Genkwanol B
|
558.50
|
1.7
|
6
|
11
|
183.21
|
2
|
|
|
(4S)-4-hydroxy-9-methoxy-2,2-dimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione
|
288.29
|
1.5
|
1
|
5
|
72.83
|
1
|
|
|
Exiguaflavanone A
|
424.50
|
5.8
|
4
|
6
|
107.22
|
6
|
|
|
Exiguaflavanone B
|
438.50
|
6.1
|
3
|
6
|
96.22
|
7
|
|
|
7-[4-(3-Methylbut-2-enoxy)phenyl]-[1,3]dioxolo[4,5-h]chromen-6-one
|
350.40
|
4.5
|
0
|
5
|
57.9
|
4
|
|
|
Ginsenoyne K
|
276.40
|
4.3
|
2
|
3
|
49.69
|
10
|
|
|
3-(4-Hydroxyphenyl)propyl tetracosanoate
|
502.80
|
13.7
|
1
|
3
|
46.53
|
27
|
|
|
Tristin
|
260.28
|
2.4
|
3
|
4
|
69.92
|
4
|
|
|
(2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
422.40
|
1
|
6
|
9
|
149.07
|
7
|
|
|
Rubrifloralignan A
|
388.50
|
4.6
|
2
|
6
|
77.38
|
4
|
|
|
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S)-5-[(E)-3-hydroxyprop-1-enyl]-7-methoxy-2-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydro-1-benzofuran-3-yl]methoxy]oxane-3,4,5-triol
|
682.70
|
-1.5
|
9
|
16
|
246.68
|
12
|
|
|
Adonifoline
|
365.40
|
-1
|
1
|
8
|
97.83
|
0
|
|
|
methyl (1S,4aR,6S,7R,7aS)-4a,7-dihydroxy-6-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxy-7-methyl-1-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
|
750.70
|
1.2
|
2
|
18
|
235.18
|
18
|
|
|
6-O-Syringoylajugol
|
528.50
|
-0.4
|
6
|
13
|
193.83
|
8
|
|
|
Saccatoside
|
654.60
|
-2
|
8
|
16
|
246.82
|
10
|
|
|
[(2S,3R,4R,5S,6S)-3,5-dihydroxy-2-[[(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl]oxy]-6-methyloxan-4-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
654.60
|
-2
|
8
|
16
|
246.82
|
10
|
|
|
NCGC00169930-02_C30H38O16_(1aS,1bS,2S,5aR,6S,6aS)-6-({6-Deoxy-4-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-alpha-L-mannopyranosyl}oxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2-yl beta-D-glucopyranoside
|
654.60
|
-2
|
8
|
16
|
246.82
|
10
|
|
|
[(2S,3R,4R,5R,6S)-4,5-dihydroxy-2-[[(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl]oxy]-6-methyloxan-3-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate
|
668.60
|
-1.7
|
7
|
16
|
235.82
|
11
|
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