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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(3S,5S,8R,9S,10S,13R,14S,17R)-3-[(2S,3S,4S,6S)-3,4-dihydroxy-6-methyloxan-2-yl]oxy-5,14-dihydroxy-13-methyl-12-oxo-17-(6-oxopyran-3-yl)-1,2,3,4,6,7,8,9,11,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
|
560.60
|
0.1
|
4
|
10
|
163.73
|
4
|
|
|
(2S,3S,4S,5R,6R)-6-[[(1S,2S,4S,5R,6S,9S,11R,14R,15S,18S,23R)-6,10,10,14,15,21,21-heptamethyl-25-oxo-3,24-dioxaheptacyclo[16.5.2.01,15.02,4.05,14.06,11.018,23]pentacosan-9-yl]oxy]-3-hydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
971.10
|
1.9
|
10
|
20
|
313.58
|
9
|
|
|
Ferrugieudesmol
|
506.80
|
9.7
|
2
|
2
|
40.46
|
3
|
|
|
5,8-Dideuterio-7-hydroxy-6-methoxy-3-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)chromen-4-one
|
290.30
|
2.4
|
2
|
5
|
79.9
|
2
|
|
|
5-(3-Carboxypropylamino)-2-hydroxy-3-tridecyl-1,4-benzoquinone
|
407.50
|
6
|
3
|
6
|
103.7
|
17
|
|
|
(4aS,11aR)-4,4,11a-trimethyl-2,3,4a,5,6,8,9,11-octahydro-1H-benzo[9]annulene-7,10-dione
|
250.38
|
3.2
|
0
|
2
|
34.14
|
0
|
|
|
(3E)-3-[2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]furan-2-one
|
300.40
|
5.6
|
0
|
2
|
26.3
|
2
|
|
|
Coronadiene
|
262.40
|
4.8
|
1
|
2
|
37.3
|
2
|
|
|
(E)-4-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-2-(hydroxymethyl)but-2-enal
|
290.40
|
4.2
|
1
|
2
|
37.3
|
4
|
|
|
4-[(3S,5R)-3,5-dihydroxy-7-(4-hydroxy-3-methoxyphenyl)heptyl]benzene-1,2-diol
|
362.40
|
2.9
|
5
|
6
|
110.38
|
9
|
|
|
Crassolide A
|
392.50
|
2.1
|
2
|
6
|
93.06
|
2
|
|
|
Crassocolide C
|
376.50
|
3.2
|
1
|
5
|
72.83
|
2
|
|
|
(1S,3R,5R,8E,12E,15R)-3,8,12-trimethyl-16-methylidene-4,18-dioxatricyclo[13.3.0.03,5]octadeca-8,12-dien-17-one
|
316.40
|
3.6
|
0
|
3
|
38.83
|
0
|
|
|
Crassocolide B
|
434.50
|
2.7
|
1
|
7
|
99.13
|
4
|
|
|
Crassocolide D
|
334.40
|
2.6
|
2
|
4
|
66.76
|
0
|
|
|
Crassocolide F
|
374.50
|
3.1
|
0
|
5
|
65.13
|
2
|
|
|
Acanthopanaxoside A
|
1247.40
|
-1.9
|
14
|
27
|
418.89
|
16
|
|
|
2,6-Diisopropyl-3-methylphenol
|
192.30
|
4.2
|
1
|
1
|
20.23
|
2
|
|
|
(2S,3S,4S,5R,6R)-6-[[(6aR,6bS,8aS,12aR,14aR,14bR)-4,4,6a,6b,14b-pentamethyl-11-methylidene-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
|
778.90
|
3.1
|
8
|
14
|
232.9
|
7
|
|
|
Viridiflorol
|
222.37
|
3.7
|
1
|
1
|
20.23
|
0
|
|
|
3,4,9-Trihydroxy-11,11-dimethyl-5-(propan-2-yl)-16-oxatetracyclo[6.6.2.0^{1,10}.0^{2,7}]hexadeca-2(7),3,5-trien-15-one
|
346.40
|
3.4
|
3
|
5
|
86.99
|
1
|
|
|
7-Hydroxy-2,3,4-trimethoxyphenanthrene
|
284.31
|
4
|
1
|
4
|
47.92
|
3
|
|
|
(4-Methoxybenzo[d][1,3]dioxol-5-yl)(phenyl)methanone
|
256.25
|
3
|
0
|
4
|
44.76
|
3
|
|
|
7,4'-di-O-galloyltricetiflavan
|
594.50
|
3.4
|
9
|
14
|
243.9
|
7
|
|
|
1,2,3,5-Tetrahydroxybenzene
|
142.11
|
0.8
|
4
|
4
|
80.92
|
0
|
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