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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Glabrocoumarin
|
336.30
|
3.8
|
2
|
5
|
79.9
|
1
|
|
|
1-[(2S,4aR,4bS,6R,8R,8aS)-6-hydroxy-8-(hydroxymethyl)-2,4b,8-trimethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-yl]ethane-1,2-diol
|
338.50
|
2
|
4
|
4
|
80.92
|
3
|
|
|
3-Pentanol
|
88.15
|
1.2
|
1
|
1
|
20.23
|
2
|
|
|
(1S,4S,5R,9R,13S,14S)-13,14-dihydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadec-10-ene-5-carboxylic acid
|
350.40
|
2.3
|
4
|
5
|
97.99
|
2
|
|
|
Crotaorixin
|
354.40
|
5.1
|
3
|
5
|
86.99
|
6
|
|
|
(E)-3-(3,4-dimethoxyphenyl)-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]prop-2-enamide
|
357.40
|
2.4
|
2
|
5
|
77.02
|
8
|
|
|
(2R,3S)-2,3-bis(1,3-benzodioxol-5-ylmethyl)butane-1,4-diol
|
358.40
|
2.9
|
2
|
6
|
77.38
|
7
|
|
|
Dihydrocubebin, rel-
|
358.40
|
2.9
|
2
|
6
|
77.38
|
7
|
|
|
2-[(4-Hydroxyphenyl)methyl]-5-methoxy-3-[2-(3-methoxyphenyl)ethyl]phenol
|
364.40
|
5.3
|
2
|
4
|
58.92
|
7
|
|
|
1,2-Butanediol
|
90.12
|
-0.2
|
2
|
2
|
40.46
|
2
|
|
|
(3S,4S)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]oxolan-2-one
|
386.40
|
3.4
|
1
|
7
|
83.45
|
6
|
|
|
(1S,8R,9S,12R,13R,14R,15R,16S)-15-chloro-8,13,14-trihydroxy-1,12-dimethyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,6-diene-4,11-dione
|
398.80
|
0.1
|
3
|
7
|
117.2
|
1
|
|
|
(1S,8S,9S,13R)-16-hydroxy-3,4,5-trimethoxy-11,20-dioxapentacyclo[6.6.6.01,19.02,7.09,13]icosa-2,4,6,15,18-pentaene-10,17-dione
|
400.40
|
1.6
|
1
|
8
|
100.52
|
3
|
|
|
(2S)-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chromen-6-ol
|
400.60
|
9.9
|
1
|
2
|
29.46
|
12
|
|
|
2-(Hydroxymethyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-3,4,5-triol
|
342.30
|
-4.2
|
8
|
11
|
189.53
|
4
|
|
|
3-HYDROXY-5-(2-(3-HYDROXY-4-METHOXYPHENYL)ETHYL)PHENYL beta-D-GLUCOPYRANOSIDE
|
422.40
|
1
|
6
|
9
|
149.07
|
7
|
|
|
Esculeogenin B
|
447.60
|
4
|
4
|
5
|
81.95
|
1
|
|
|
vitisinol D
|
454.50
|
3.9
|
4
|
6
|
115.06
|
4
|
|
|
Hydnocarpin D
|
464.40
|
3.3
|
4
|
9
|
138.82
|
4
|
|
|
[(2S,3R,5S,8R,9S,10S,13R,17S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-3-(3-methylbut-2-enoylamino)-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-2-yl] acetate
|
484.70
|
6.2
|
1
|
4
|
58.64
|
6
|
|
|
O-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] N-[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]methyl]carbamothioate
|
491.50
|
-1.4
|
8
|
12
|
222.65
|
7
|
|
|
(1S,4aS,6S,7aS)-1-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-(4-hydroxybenzoyl)oxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxy-7-methylidene-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid
|
494.40
|
-0.6
|
6
|
12
|
192.44
|
7
|
|
|
Styraxlignolide E
|
520.50
|
1.5
|
5
|
11
|
164.37
|
9
|
|
|
[(3S,4R,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[4-(hydroxymethyl)phenoxy]oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl benzoate
|
522.50
|
-0.7
|
6
|
12
|
184.6
|
10
|
|
|
methyl (E,2R)-2-hydroxytritriacont-7-enoate
|
522.90
|
15
|
1
|
3
|
46.53
|
31
|
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