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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(3R,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] acetate
|
468.80
|
9.7
|
0
|
2
|
26.3
|
2
|
|
|
(2R,3S,4S,5R,6S)-2-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(6-prop-2-enyl-1,3-benzodioxol-5-yl)oxy]oxane-3,4,5-triol
|
472.40
|
-0.9
|
6
|
12
|
176.76
|
8
|
|
|
(1S,2S,5R,6S,9R,10R,13R)-6-[(2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-9,10,14,14-tetramethyl-16-oxapentacyclo[13.2.2.01,13.02,10.05,9]nonadecan-15-ol
|
474.70
|
6.3
|
2
|
4
|
58.92
|
2
|
|
|
(1S,2S,3S)-2-[(E)-1,3-dimethoxy-3-oxoprop-1-en-2-yl]-3-ethyl-8-methoxy-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-5-ium-1-sulfonate
|
476.50
|
1.9
|
1
|
7
|
129.14
|
6
|
|
|
Kelampayoside A
|
478.40
|
-2.1
|
6
|
13
|
185.99
|
9
|
|
|
methyl (2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2-(hydroxymethyl)-4a,6a,6a,9,14a-pentamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylate
|
480.60
|
5
|
2
|
5
|
83.83
|
3
|
|
|
Tritriacontan-17-ol
|
480.90
|
16.2
|
1
|
1
|
20.23
|
30
|
|
|
methyl (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,5,6,6a,7,8,8a,10,11,12,14b-tetradecahydropicene-4a-carboxylate
|
484.70
|
6.6
|
1
|
4
|
63.6
|
2
|
|
|
2-Methyl-2-butene
|
70.13
|
2.3
|
0
|
0
|
0
|
0
|
|
|
di-O-allylmangostin
|
490.60
|
8.2
|
1
|
6
|
78.13
|
11
|
|
|
Passifloricin C
|
500.70
|
7.2
|
3
|
7
|
113.29
|
22
|
|
|
(2R,4aS,6aR,6aS,6bR,8aR,12aR,14bR)-N-butyl-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-2-carboxamide
|
509.80
|
8.2
|
1
|
2
|
46.17
|
4
|
|
|
(4aS,6aR,6aS,6bR,8aR,10S,12aS,14bS)-10-acetyloxy-2,2,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-4a-carboxylic acid
|
512.70
|
7
|
1
|
5
|
80.67
|
3
|
|
|
methyl 2-[(1R,5S,6R,9R,10R,13S,14R,16R)-13-[(Z)-6-hydroxy-6-methyl-4-oxohept-2-en-2-yl]-5,9,10-trimethyl-3-oxo-2-oxatetracyclo[7.6.1.05,16.010,14]hexadecan-6-yl]-2-methylpropanoate
|
516.70
|
5.9
|
1
|
6
|
89.9
|
7
|
|
|
[(1R,2R,3S,3aR,8bS)-2-carbamoyl-8b-hydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-1-yl] acetate
|
519.50
|
2.3
|
2
|
8
|
126.54
|
8
|
|
|
3'-O-Caffeoylsweroside
|
520.50
|
1
|
5
|
12
|
181.44
|
8
|
|
|
Coagulin H
|
520.60
|
-0.2
|
6
|
9
|
164.75
|
2
|
|
|
(1S,2S,13S,15R)-6,8-dihydroxy-17,17-dimethyl-5,13,15-tris(3-methylbut-2-enyl)-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4,6,8,11-tetraene-10,14-dione
|
532.70
|
7.2
|
2
|
6
|
93.06
|
6
|
|
|
Ethyl 3,4-dicaffeoylquinate
|
544.50
|
2.2
|
6
|
12
|
200.28
|
11
|
|
|
(6aR,12aR)-12-[5-[(3R)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2-methoxyphenyl]-3-methoxy-6a,12-dihydro-6H-chromeno[2,3-c]chromene-9,12a-diol
|
554.60
|
4.8
|
3
|
8
|
106.84
|
4
|
|
|
[(2R,4S,5R,6R)-5-acetyloxy-2,6,10,10-tetramethyl-7-[(E)-3-phenylprop-2-enoyl]oxy-11-oxatricyclo[7.2.1.01,6]dodecan-4-yl] (E)-3-phenylprop-2-enoate
|
572.70
|
6.7
|
0
|
7
|
88.13
|
10
|
|
|
(E)-1-[2,4-dihydroxy-3-[(E,1R,5S)-5-hydroxy-1,7-bis(4-hydroxyphenyl)hept-2-enyl]-6-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
|
582.60
|
6.8
|
6
|
8
|
147.68
|
12
|
|
|
Aromin-A
|
592.80
|
7.9
|
2
|
7
|
102.29
|
23
|
|
|
1,8-dihydroxy-5,6-dimethoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyxanthen-9-one
|
598.50
|
-1.5
|
8
|
16
|
247.43
|
7
|
|
|
(2S)-2-methyl-4-[(2R,6R,13R)-2,6,13-trihydroxy-13-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]-8-oxotridecyl]-2H-furan-5-one
|
610.90
|
6.7
|
4
|
8
|
133.52
|
26
|
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