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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1S,2S,17S,19R)-12-hydroxy-8,8,21,21-tetramethyl-5,19-bis(3-methylbut-2-enyl)-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaene-14,18-dione
|
530.60
|
6.7
|
1
|
6
|
82.06
|
4
|
|
|
(E)-3-[(2R,4R)-2,4-bis(1,3-benzodioxol-5-yl)-3-(piperidine-1-carbonyl)cyclobutyl]-1-piperidin-1-ylprop-2-en-1-one
|
544.60
|
4.3
|
0
|
6
|
77.54
|
5
|
|
|
Cucurbitaxanthin A
|
584.90
|
10.3
|
2
|
3
|
49.69
|
10
|
|
|
cis-Montacin
|
610.90
|
6.9
|
4
|
8
|
133.52
|
26
|
|
|
[(1S,2S,3aR,5R,6E,10S,13S,13aS)-3a,10,13-triacetyloxy-13a-hydroxy-2,5,8,8-tetramethyl-12-methylidene-4,9-dioxo-2,3,5,10,11,13-hexahydro-1H-cyclopenta[12]annulen-1-yl] benzoate
|
612.70
|
3.7
|
1
|
11
|
159.57
|
9
|
|
|
(2R,3R)-2-[5-[(1R,5S,6R)-6-[2,4-dihydroxy-3-(3-methylbut-2-enyl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2-hydroxyphenyl]-3,7-dihydroxy-2,3-dihydrochromen-4-one
|
678.70
|
6.6
|
7
|
10
|
184.98
|
7
|
|
|
1-O-Deacetyl-1-O-benzoylohchinolide B
|
686.80
|
5.6
|
0
|
10
|
127.57
|
9
|
|
|
(2R,3R,4R,5R,6S)-2-[(2R)-4-[(1S,2S,4S,6R,7S,8R,9S,12S,13R,14R,16R)-6,16-dihydroxy-7,9,13-trimethyl-14-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-6-yl]-2-methylbutoxy]-6-methyloxane-3,4,5-triol
|
726.90
|
1.1
|
8
|
13
|
207.99
|
8
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8R,8aS,12aS,14aR,14bR)-8-acetyloxy-4,4,6a,6b,11,11,14b-heptamethyl-8a-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
1309.40
|
-0.2
|
16
|
29
|
459.35
|
17
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-4-hydroxy-5-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy]oxan-2-yl]oxy-6-(hydroxymethyl)-2-[[(1R,2S,4S,6R,7S,8R,9S,12S,13S,16R,18S)-6-hydroxy-7,9,13-trimethyl-6-[(3S)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-16-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
1331.40
|
-4
|
18
|
31
|
484.13
|
19
|
|
|
Polianthoside E
|
1361.40
|
-6.1
|
19
|
33
|
521.43
|
20
|
|
|
(4S,5S)-3,4-dimethyl-5-phenyl-1,3-oxazolidine
|
177.24
|
1.9
|
0
|
2
|
12.47
|
1
|
|
|
4-(3-Methyl-2-butenoxy)phenol
|
178.23
|
3
|
1
|
2
|
29.46
|
3
|
|
|
Bicyclo[3.1.1]hept-2-ene-2-methanol, 6,6-dimethyl-, 2-acetate, (1S,5R)-
|
194.27
|
2.2
|
0
|
2
|
26.3
|
3
|
|
|
Chrycorin
|
220.29
|
1.3
|
0
|
3
|
54.54
|
1
|
|
|
Fgpdtarjoxrwjd-rrfjbimhsa-
|
220.35
|
3
|
1
|
1
|
20.23
|
1
|
|
|
Isodillapiole
|
222.24
|
2.7
|
0
|
4
|
36.92
|
3
|
|
|
Clausine Z
|
227.21
|
2.1
|
3
|
3
|
73.32
|
1
|
|
|
(2E)-3-Methyl-5-[(1R,3S)-2,2-dimethyl-3-hydroxy-6-methylenecyclohexyl]-2-pentene-1-ol
|
238.37
|
3
|
2
|
2
|
40.46
|
4
|
|
|
(+)-Heliannuol D
|
250.33
|
3
|
2
|
3
|
49.69
|
1
|
|
|
(1R,2aS,3R,4S,4aR,7aS,7bR)-3-(hydroxymethyl)-6,6,7b-trimethyl-2,2a,3,4,4a,5,7,7a-octahydro-1H-cyclobuta[e]indene-1,4-diol
|
254.36
|
2.3
|
3
|
3
|
60.69
|
1
|
|
|
(E)-1-[(2S)-2-(2-oxopropyl)pyrrolidin-1-yl]-3-phenylprop-2-en-1-one
|
257.33
|
2
|
0
|
2
|
37.38
|
4
|
|
|
Khellactone, trans-(+)-
|
262.26
|
0.8
|
2
|
5
|
79.9
|
0
|
|
|
1,2-Bis(3,5-difluorophenyl)ethane-1,2-dione
|
282.19
|
3.3
|
0
|
6
|
34.14
|
3
|
|
|
(1S,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbaldehyde
|
284.40
|
5.5
|
0
|
1
|
17.07
|
2
|
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