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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Broussoaurone A
|
338.40
|
4.5
|
3
|
5
|
86.99
|
3
|
|
|
(2R,3R,4S)-4-(2,4,6-trihydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
|
430.40
|
1.4
|
9
|
10
|
191.3
|
2
|
|
|
Brazilane
|
270.28
|
2.6
|
3
|
4
|
69.92
|
0
|
|
|
9,12,13-Trihydroxyoctadec-10-enoic acid
|
330.50
|
3.1
|
4
|
5
|
97.99
|
15
|
|
|
Piperylene
|
68.12
|
2.4
|
0
|
0
|
0
|
1
|
|
|
5-Hydroxypseudobaptigenin
|
298.25
|
2.8
|
2
|
6
|
89.13
|
1
|
|
|
2-Oxobutyl acetate
|
130.14
|
0.3
|
0
|
3
|
43.37
|
4
|
|
|
Pent-2-en-1-ol
|
86.13
|
0.9
|
1
|
1
|
20.23
|
2
|
|
|
Oct-3-enoic acid
|
142.20
|
2.3
|
1
|
2
|
37.3
|
5
|
|
|
1,3,6,7-Tetrahydroxy-8-prenylxanthone
|
328.30
|
4
|
4
|
6
|
111.13
|
2
|
|
|
Pyranojacareubin
|
392.40
|
4.7
|
2
|
6
|
89.13
|
0
|
|
|
(1S,2R,5R,6R,9R,10R,13S,15S)-5-[(2R,5R)-5,6-dimethylheptan-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-ol
|
430.70
|
7.5
|
1
|
3
|
38.69
|
5
|
|
|
(1S,2R,5R,6R,9R,10R,13S,15S)-5-[(2R,5S)-5,6-dimethylheptan-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-ol
|
430.70
|
7.5
|
1
|
3
|
38.69
|
5
|
|
|
2-Amino-2-methyl-1,3-propanediol
|
105.14
|
-1.8
|
3
|
3
|
66.48
|
2
|
|
|
(Z)-4-(2-nitrovinyl)phenol
|
165.15
|
2.1
|
1
|
3
|
63.37
|
1
|
|
|
3,4-Difluoro-4'-methoxybiphenyl
|
220.21
|
3.7
|
0
|
3
|
9.23
|
2
|
|
|
(4R)-4-[(1R)-1-hydroxyethyl]-5,5-dimethyloxolan-2-one
|
158.19
|
0.4
|
1
|
3
|
46.53
|
1
|
|
|
1-Allyl-2-methylbenzene
|
132.20
|
3.8
|
0
|
0
|
0
|
2
|
|
|
(2S,3S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
779.00
|
5.5
|
7
|
13
|
212.67
|
7
|
|
|
(1R,2R,5S,7R,10S,11S)-5-ethenyl-2,5,11-trimethyl-15-oxatetracyclo[9.3.2.01,10.02,7]hexadecane-8,16-dione
|
316.40
|
3.8
|
0
|
3
|
43.37
|
1
|
|
|
(10R,11R)-10-[(14R,15S,19S)-2,3,4,7,8,9,19-heptahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl]-3,4,5,11,17,18,19,22,23,34,35-undecahydroxy-9,13,25,32-tetraoxaheptacyclo[25.8.0.02,7.015,20.021,30.024,29.028,33]pentatriaconta-1(35),2,4,6,15,17,19,21,23,27,29,33-dodecaene-8,14,26,31-tetrone
|
1084.70
|
0.9
|
18
|
30
|
529.76
|
1
|
|
|
(2S)-5-hydroxy-7-[(1S,2S)-2-hydroxy-2-[(2S)-6-oxo-2,3-dihydropyran-2-yl]-1-phenylethoxy]-2-phenyl-2,3-dihydrochromen-4-one
|
472.50
|
4.5
|
2
|
7
|
102.29
|
6
|
|
|
[(10R,11R)-10-[(14R,15S,19R)-2,3,4,7,8,9,19-heptahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl]-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-11-yl] 3,4,5-trihydroxy-2-[(7,13,14-trihydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaen-6-yl)oxy]benzoate
|
1236.80
|
2.3
|
19
|
34
|
585.52
|
6
|
|
|
1-[(3S,8S,10R,11S,12S,13S,14R,17S)-3-[(2R,4R,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-8,11,12,14,17-pentahydroxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl]ethanone
|
845.00
|
-1.1
|
7
|
17
|
241.75
|
10
|
|
|
[(1S,2Z,5S,9S,10E,14S,15S)-2,11,15-trimethyl-6-methylidene-7-oxo-8,16,17-trioxatricyclo[13.2.2.05,9]nonadeca-2,10-dien-14-yl] acetate
|
390.50
|
3
|
0
|
6
|
71.06
|
2
|
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