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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Annosquamosin D
|
350.50
|
3.3
|
2
|
4
|
66.76
|
3
|
|
|
Urea
|
60.06
|
-1.4
|
2
|
1
|
69.11
|
0
|
|
|
1-[(6aS,11aS)-3,6a-dihydroxy-9-methoxy-6,11a-dihydro-[1]benzofuro[3,2-c]chromen-10-yl]-3-methylbutan-2-one
|
370.40
|
2.2
|
2
|
6
|
85.22
|
4
|
|
|
Tricosanoic acid, 23-hydroxy-
|
370.60
|
8
|
2
|
3
|
57.53
|
22
|
|
|
[(3aR,4R,6E,10E,11aR)-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-hydroxy-2-(methoxymethyl)but-2-enoate
|
376.40
|
1.7
|
1
|
6
|
82.06
|
6
|
|
|
Urinatetralin
|
384.40
|
3.5
|
0
|
6
|
55.38
|
5
|
|
|
(2R,3R,4S,5S,6R)-2-[(1S,4S,5R)-4-hydroxy-4-[(E,3S)-3-hydroxybut-1-enyl]-3,3,5-trimethylcyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
390.50
|
-0.3
|
6
|
8
|
139.84
|
5
|
|
|
(3S,8S,9S,10R,13R,14S,17R)-17-[(Z,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
412.70
|
8.6
|
1
|
1
|
20.23
|
5
|
|
|
(2E,4E)-15-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pentadeca-2,4-dienamide
|
413.60
|
8.3
|
1
|
3
|
47.56
|
15
|
|
|
Dendronobiloside B
|
418.50
|
0.4
|
6
|
8
|
139.84
|
6
|
|
|
methyl (1R,12S,13S,15R,20R)-12-ethyl-4-hydroxy-5,6-dimethoxy-14-oxa-8,17-diazahexacyclo[10.7.1.01,9.02,7.013,15.017,20]icosa-2,4,6,9-tetraene-10-carboxylate
|
428.50
|
2.1
|
2
|
8
|
92.79
|
5
|
|
|
(2R)-2-[(1R)-1-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-1-oxo-4,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxyethyl]-5-(methoxymethyl)-4-methyl-2,3-dihydropyran-6-one
|
468.60
|
4.4
|
1
|
5
|
72.83
|
5
|
|
|
(2S,3S,4S,5R,6S)-6-[5,6-dihydroxy-2-(2-methoxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
|
476.40
|
1.1
|
6
|
12
|
196.35
|
5
|
|
|
(2R,6R)-6-[(3R,3aR,5aS,6S,7S,9bR)-6-(2-carboxyethyl)-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,5,5a,7,8-octahydrocyclopenta[a]naphthalen-3-yl]-2-methyl-4-oxoheptanoic acid
|
486.70
|
6.4
|
2
|
5
|
91.67
|
10
|
|
|
[(1S,6S,7R,7aS)-4-(acetyloxymethyl)-6-(3-acetyloxy-3-methylbutanoyl)oxyspiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-1-yl] 3-methylpentanoate
|
494.50
|
1.5
|
0
|
10
|
126.96
|
14
|
|
|
(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bR)-10-acetyloxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
498.70
|
8.1
|
1
|
4
|
63.6
|
3
|
|
|
4-[2-[(1R,4aS,5S,8aS)-5,8a-dimethyl-2-methylidene-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one
|
480.60
|
2.6
|
4
|
8
|
125.68
|
7
|
|
|
6-[[(E)-4-hydroxy-3-methylbut-2-enyl]amino]-3,7-dihydropurin-2-one
|
235.24
|
-0.3
|
4
|
3
|
106.69
|
4
|
|
|
Hydron;pyridine-3-carboxylate
|
123.11
|
|
1
|
3
|
53.02
|
0
|
|
|
(2S,3R,4S,5S,6R)-2-[4-[(2R,3S)-3,7-dihydroxy-5-methoxy-3,4-dihydro-2H-chromen-2-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
510.50
|
0.2
|
6
|
12
|
176.76
|
7
|
|
|
Munronin A
|
528.50
|
1.4
|
1
|
10
|
137.96
|
4
|
|
|
[(1S,6S,7R,7aS)-4,7-bis(acetyloxymethyl)-7-hydroxy-6-(3-methylbutanoyloxy)-6,7a-dihydro-1H-cyclopenta[c]pyran-1-yl] 3-acetyloxy-3-methylbutanoate
|
540.60
|
0.5
|
1
|
12
|
160.96
|
16
|
|
|
acinospesigenin-C
|
546.70
|
3.2
|
4
|
8
|
141.36
|
4
|
|
|
Glaucoside C
|
794.90
|
1.8
|
3
|
15
|
179.29
|
8
|
|
|
(1S,2R,6R,7R,8aR)-7-hydroxy-6-[(2S,4S,5R,6R)-5-[(2S,4S,5R,6S)-5-[(2S,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-8a-methyl-1-[3-(2-methylfuran-3-yl)-3-oxopropyl]-2,3,5,6,7,8-hexahydro-1H-naphthalene-2-carboxylic acid
|
794.90
|
2.6
|
3
|
15
|
191.04
|
14
|
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