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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Achyranthoside B
|
955.00
|
3.1
|
9
|
20
|
314.96
|
11
|
|
|
1b-Hydroxy-3b-caffeate lup-20(29)-ene (3)
|
604.90
|
10.8
|
3
|
5
|
86.99
|
5
|
|
|
4-Epi-niga-ichigoside
|
666.80
|
2.5
|
8
|
11
|
197.37
|
5
|
|
|
N20-Formylbuxaminol E
|
428.60
|
5
|
2
|
3
|
52.57
|
3
|
|
|
Cyclobuxophylline O
|
355.60
|
5.4
|
1
|
2
|
43.09
|
0
|
|
|
(2R)-2-phenyl-2-[(4S,5S)-3,4,5-trihydroxy-6-[[(3R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyacetonitrile
|
457.40
|
-2.7
|
7
|
12
|
202.32
|
7
|
|
|
2-[(5R,7R)-13,14,15,18,19,20,31,35,36-nonahydroxy-2,10,23,28,32-pentaoxo-5-(3,4,5-trihydroxybenzoyl)oxy-3,6,9,24,27,33-hexaoxaheptacyclo[28.7.1.04,25.07,26.011,16.017,22.034,38]octatriaconta-1(37),11,13,15,17,19,21,34(38),35-nonaen-29-yl]acetic acid
|
954.70
|
0.4
|
13
|
27
|
447.09
|
5
|
|
|
9,19-Cyclolanost-24-ene-3,26-diol, (3beta)-
|
442.70
|
8.5
|
2
|
2
|
40.46
|
5
|
|
|
Lantoic acid
|
486.70
|
5.7
|
3
|
5
|
86.99
|
1
|
|
|
(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R,6S)-2,3,6,7-tetrahydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
|
496.60
|
-0.6
|
7
|
8
|
158.68
|
6
|
|
|
(2r)-2-(2-Hydroxypropan-2-yl)-10-methylspiro[4.5]dec-6-ene-6-carboxylic acid
|
252.35
|
3
|
2
|
3
|
57.53
|
2
|
|
|
Guajadial D
|
474.60
|
6.7
|
2
|
5
|
83.83
|
4
|
|
|
Guajadial C
|
474.60
|
6.7
|
2
|
5
|
83.83
|
4
|
|
|
Guajadial F
|
474.60
|
6.6
|
2
|
5
|
83.83
|
4
|
|
|
Guajadial E
|
474.60
|
6.6
|
2
|
5
|
83.83
|
4
|
|
|
(3S)-4-hydroxy-6-methoxyspiro[1,2-dihydroindene-3,4'-cyclohex-2-ene]-1'-one
|
244.28
|
2.5
|
1
|
3
|
46.53
|
1
|
|
|
Jasmoside
|
928.90
|
-1.5
|
8
|
22
|
322.42
|
14
|
|
|
Diversoside
|
494.50
|
1.4
|
5
|
10
|
159.05
|
10
|
|
|
(5S,6R,9S,10S,15S,16E,17S)-16-ethylidene-6-hydroxy-5,9-dimethyl-17-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,12,18-trioxatricyclo[13.4.0.06,10]nonadec-1(19)-ene-2,13-dione
|
542.60
|
-0.4
|
5
|
12
|
181.44
|
3
|
|
|
Echitoveniline
|
548.60
|
4.5
|
1
|
9
|
95.56
|
9
|
|
|
methyl (1R,12R,19R)-12-[(1R)-1-(3-methylbut-2-enoyloxy)ethyl]-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9-tetraene-10-carboxylate
|
436.50
|
4.4
|
1
|
6
|
67.87
|
6
|
|
|
Cryptanoside A
|
562.60
|
0.3
|
3
|
10
|
144.28
|
4
|
|
|
methyl (1S,15S,17S,18S)-17-ethyl-5-[(1S,12R,14S,15E)-15-ethylidene-18-methoxycarbonyl-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl]-6-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate
|
704.90
|
6.1
|
2
|
7
|
99.89
|
7
|
|
|
(2S)-2-hydroxy-6-(2-hydroxyethyl)-2,5,7-trimethyl-3H-inden-1-one
|
234.29
|
1.6
|
2
|
3
|
57.53
|
2
|
|
|
(1R,4E,6S,7R,11Z)-4-ethylidene-7-hydroxy-6,7,14-trimethyl-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-3,8,17-trione
|
365.40
|
1.4
|
1
|
7
|
93.14
|
0
|
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