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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(1R,2R,4S,6S,9S,10S,11S,13S,14S)-2,11-dihydroxy-14-(methoxymethyl)-5,5,9-trimethyl-3,15-dioxo-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
|
422.50
|
1
|
2
|
7
|
110.13
|
4
|
|
|
Durantin A
|
428.40
|
2.7
|
1
|
9
|
113.66
|
6
|
|
|
(2R,3S,4S,5R,6S)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(3,4-dimethoxyphenoxy)oxane-3,4,5-triol
|
448.40
|
-2.1
|
6
|
12
|
176.76
|
8
|
|
|
(2R,3S,4S,5R,6S)-2-[[(2R,3S,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(1S)-4-methyl-1-propan-2-ylcyclohex-3-en-1-yl]oxyoxane-3,4,5-triol
|
448.50
|
-1.2
|
6
|
10
|
158.3
|
7
|
|
|
C28H23ClO4
|
458.90
|
6.9
|
4
|
4
|
80.92
|
0
|
|
|
luzonoid C
|
462.50
|
1.2
|
4
|
9
|
142.75
|
10
|
|
|
Biatractylolide
|
462.60
|
5.1
|
0
|
4
|
52.6
|
1
|
|
|
[(1R,2S,5S,6S,9S,10R,12S,13R,16S)-16-(dimethylamino)-6,7,13-trimethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-10-yl] 4-methylpent-3-enoate
|
468.70
|
5.9
|
0
|
4
|
32.78
|
5
|
|
|
Unii-6PM4une85T
|
477.50
|
1.3
|
4
|
9
|
176.29
|
0
|
|
|
Stachyanthuside A
|
478.40
|
-0.4
|
6
|
13
|
209.49
|
4
|
|
|
2-Methylbutyl nonanoate
|
228.37
|
5.3
|
0
|
2
|
26.3
|
11
|
|
|
[(3S,4R,5R,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-3-[[(E)-2-methylbut-2-enoyl]amino]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-4-yl] acetate
|
486.70
|
6.5
|
1
|
4
|
58.64
|
6
|
|
|
(2Z)-2-[3-[(2E)-2-(3-oxo-1H-indol-2-ylidene)indol-3-yl]indol-2-ylidene]-1H-indol-3-one
|
490.50
|
4.4
|
2
|
6
|
82.92
|
1
|
|
|
Aphelandrine
|
492.60
|
1.5
|
4
|
6
|
102.93
|
1
|
|
|
[(1S,4R,5R,6S)-5-(1,3-benzodioxol-5-yl)-4-pentyl-6-(piperidine-1-carbonyl)cyclohex-2-en-1-yl]-piperidin-1-ylmethanone
|
494.70
|
5.8
|
0
|
4
|
59.08
|
7
|
|
|
Viticosterone E
|
522.70
|
1
|
5
|
8
|
144.52
|
7
|
|
|
orthosiphonone C
|
528.60
|
2.2
|
3
|
9
|
147.43
|
6
|
|
|
Anhydrolutein-I
|
550.90
|
12.2
|
1
|
1
|
20.23
|
10
|
|
|
Sitostanyl ferulate
|
592.90
|
12.4
|
1
|
4
|
55.76
|
11
|
|
|
(2R)-N-[(Z,2S,3S,4R)-3,4-dihydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-8-en-2-yl]-2-hydroxyhexadecanamide
|
732.00
|
9
|
8
|
10
|
189.17
|
33
|
|
|
Javanicoside D
|
740.70
|
-0.1
|
7
|
17
|
265.27
|
10
|
|
|
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
|
754.70
|
-0.2
|
8
|
19
|
279.05
|
16
|
|
|
Abt-737
|
813.40
|
9
|
2
|
10
|
161.81
|
15
|
|
|
Marsdenoside A
|
835.00
|
4.5
|
2
|
14
|
178.04
|
14
|
|
|
(2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5S)-2-[(1S,2S,4S,4'S,5'S,6R,7S,8R,9S,12S,13R,14R,16R)-4',16-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxy-5-hydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
857.00
|
-0.4
|
9
|
17
|
255.91
|
6
|
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