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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Stemofuran K
|
282.30
|
4.7
|
1
|
3
|
42.6
|
2
|
|
|
13-Epimanool
|
290.50
|
5.7
|
1
|
1
|
20.23
|
4
|
|
|
(3aR,6R,7R,8aS)-6-hydroxy-7-isopropyl-4-methoxycarbonyl-3,3a,6,7,8,8a-hexahydroazulene-1-carboxylic acid
|
294.34
|
1.8
|
2
|
5
|
83.83
|
4
|
|
|
Vitetrifolin G
|
304.50
|
3.9
|
2
|
2
|
40.46
|
4
|
|
|
(2S,6S)-4-Methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-one
|
313.30
|
2.2
|
0
|
5
|
48
|
1
|
|
|
(4e)-1,5-Bis(4-hydroxyphenyl)-2-(methoxymethyl)-4-penten-1-ol
|
314.40
|
3.1
|
3
|
4
|
69.92
|
7
|
|
|
Acronyculatin E
|
316.40
|
4.6
|
1
|
4
|
55.76
|
4
|
|
|
1-(3-I(2)-D-Glucopyranosyl-2,4,6-trihydroxyphenyl)ethanone
|
330.29
|
-1.4
|
7
|
9
|
167.91
|
3
|
|
|
(5S,6S,7S,8R)-8-chloro-5,6,7-trihydroxy-2-(2-phenylethyl)-5,6,7,8-tetrahydrochromen-4-one
|
336.80
|
0.5
|
3
|
5
|
90.9
|
3
|
|
|
(5S)-5-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)heptan-3-one
|
344.40
|
2.7
|
3
|
5
|
86.99
|
9
|
|
|
[(2S,3S,4aS,8R,8aS)-3-hydroxy-4,4,8a-trimethyl-7-methylidene-8-[(2Z)-3-methylpenta-2,4-dienyl]-2,3,4a,5,6,8-hexahydro-1H-naphthalen-2-yl] acetate
|
346.50
|
5.3
|
1
|
3
|
46.53
|
5
|
|
|
Dipteryxic acid
|
348.40
|
3.1
|
2
|
5
|
83.83
|
1
|
|
|
(2S,3R,4S,5S,6R)-2-[(3S,6R)-6,7-dihydroxy-3,7-dimethyloct-1-en-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
350.40
|
-1.2
|
6
|
8
|
139.84
|
8
|
|
|
(16Z,19Z)-16,17,19,20-Tetradehydro-17-hydroxycorynan-16-carboxylic acid methyl ester
|
352.40
|
3
|
2
|
4
|
65.56
|
3
|
|
|
(3S,3aR,6S,6aR)-6-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
|
356.40
|
3
|
0
|
5
|
46.15
|
5
|
|
|
Dihydroretrofractamide B
|
357.50
|
6.2
|
1
|
3
|
47.56
|
11
|
|
|
Chiricanine C
|
362.50
|
7.7
|
1
|
2
|
29.46
|
7
|
|
|
methyl 3-[4-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoate
|
372.40
|
-0.4
|
4
|
9
|
134.91
|
8
|
|
|
(1S,2S,5S,6S,8S,9R,11R,12S,13R)-8,11-dihydroxy-7-(hydroxymethyl)-6,13-dimethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icosa-14,17-dien-16-one
|
373.50
|
2.6
|
3
|
5
|
81
|
1
|
|
|
(3S,4R)-3,4-bis[(3,4-dimethoxyphenyl)methyl]oxolan-2-one
|
386.40
|
3.9
|
0
|
6
|
63.22
|
8
|
|
|
5-Dehydroepisterol
|
396.60
|
8
|
1
|
1
|
20.23
|
5
|
|
|
pseudolaric acid G
|
404.50
|
1.6
|
2
|
7
|
110.13
|
5
|
|
|
Emeniveol
|
405.60
|
7.4
|
2
|
1
|
36.02
|
5
|
|
|
Isobutyl propionate
|
130.18
|
2.2
|
0
|
2
|
26.3
|
4
|
|
|
norcaesalpinin B
|
418.50
|
2.6
|
1
|
7
|
103.04
|
4
|
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