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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
beta-Amyrin benzoate
|
530.80
|
11.4
|
0
|
2
|
26.3
|
3
|
|
|
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
943.10
|
2.5
|
11
|
18
|
294.98
|
10
|
|
|
[(4aS,5R,6S,8aR)-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-6-yl] (Z)-2-methylbut-2-enoate
|
316.40
|
5
|
0
|
3
|
39.44
|
3
|
|
|
[(4aR,5S,7R,8aS)-7-hydroxy-3,4a,5-trimethyl-4,5,6,7,8,9-hexahydrobenzo[f][1]benzofuran-8a-yl] (Z)-2-methylbut-2-enoate
|
332.40
|
4
|
1
|
4
|
59.67
|
3
|
|
|
[(4S,4aS,5R,6S,8aR)-4-hydroxy-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-6-yl] (Z)-2-methylbut-2-enoate
|
332.40
|
3.9
|
1
|
4
|
59.67
|
3
|
|
|
methyl (1S,4S,5R,9R,10R,13R,15S)-10-hydroxy-5,9-dimethyl-15-[(Z)-2-methylbut-2-enoyl]oxy-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
|
430.60
|
4.4
|
1
|
5
|
72.83
|
5
|
|
|
[(4S,4aR,5R,6S)-6-hydroxy-3,4a,5-trimethyl-9-oxo-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-4-yl] (Z)-2-methylbut-2-enoate
|
344.40
|
3.5
|
1
|
5
|
76.74
|
3
|
|
|
[(4aR,5R,6S,8aR,9R)-8a-hydroxy-3,4a,5-trimethyl-9-(3-methylbut-2-enoyloxy)-4,5,6,7,8,9-hexahydrobenzo[f][1]benzofuran-6-yl] (Z)-2-methylbut-2-enoate
|
430.50
|
4.9
|
1
|
6
|
85.97
|
6
|
|
|
(E)-5-[(1S,2R,4R,4aR,8aR)-1,2,4a,5-tetramethyl-4-[(Z)-2-methylbut-2-enoyl]oxy-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-2-enoic acid
|
402.60
|
6.6
|
1
|
4
|
63.6
|
7
|
|
|
[(4aR,5R,6S,8aS,9R)-3,4a,5-trimethyl-9-(3-methylbut-2-enoyloxy)-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-6-yl] (Z)-2-methylbut-2-enoate
|
414.50
|
5.9
|
0
|
5
|
65.74
|
6
|
|
|
[(1E,5Z,11E)-5,11-dimethyl-8-prop-1-en-2-ylcyclotetradeca-1,5,11-trien-1-yl]methanol
|
288.50
|
4.7
|
1
|
1
|
20.23
|
2
|
|
|
[(1E,5Z,11E)-5,11-dimethyl-8-prop-1-en-2-ylcyclotetradeca-1,5,11-trien-1-yl]methyl acetate
|
330.50
|
5.3
|
0
|
2
|
26.3
|
4
|
|
|
(3R,3aS,5aR,6R,9S,9aS,9bS)-6-hydroxy-3,5a,9-trimethyl-3a,4,5,6,7,9,9a,9b-octahydro-3H-benzo[g][1]benzofuran-2,8-dione
|
266.33
|
1.5
|
1
|
4
|
63.6
|
0
|
|
|
(1aR,3aS,7bS)-1,1,3a,7-Tetramethyl-1a,2,3,3a,4,5,6,7b-octahydro-1H-cyclopropa[a]naphthalene
|
204.35
|
4.4
|
0
|
0
|
0
|
0
|
|
|
(3S,3aS,5aR,7S,9aR,9bS)-3-[(6S)-6-hydroxy-6,10-dimethylundecan-2-yl]-3a,6,6,9a-tetramethyl-1,2,3,4,5,5a,7,8,9,9b-decahydrocyclopenta[a]naphthalen-7-ol
|
448.80
|
9.3
|
2
|
2
|
40.46
|
9
|
|
|
Prosapogenin D
|
618.80
|
4.1
|
6
|
8
|
139.84
|
4
|
|
|
Prosapogenin G
|
618.80
|
4.1
|
5
|
8
|
128.84
|
3
|
|
|
(1R,2S,5S,6S,9S,10R)-5,9,10-trimethyl-3-oxatetracyclo[7.4.0.01,10.02,6]tridec-12-ene-4,11-dione
|
246.30
|
2.3
|
0
|
3
|
43.37
|
0
|
|
|
2-epi-Cucurbitacin B
|
558.70
|
2.6
|
3
|
8
|
138.2
|
6
|
|
|
Elatidine
|
479.60
|
0.4
|
1
|
8
|
78.85
|
6
|
|
|
(3R,3aR,5aR,5bS,7aS,11aS,11bR,13aS,13bR)-3a,5a,7a,11b,13a-pentamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,10,11,11a,12,13,13b-tetradecahydrocyclopenta[a]chrysene-8-carbaldehyde
|
424.70
|
9.8
|
0
|
1
|
17.07
|
2
|
|
|
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2S)-5-hydroxy-6-methyl-2-[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,6,12-trihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-6-en-2-yl]oxyoxane-3,4,5-triol
|
654.90
|
3.3
|
8
|
10
|
180.3
|
8
|
|
|
[(2S,3R,4S,5S)-3-[(2S,3R,4S,5S,6S)-5-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1455.60
|
-3.1
|
18
|
33
|
510.43
|
17
|
|
|
[(1S,2R,20R,22S,31S,32S,39R)-7,8,9,12,13,14,27,28,33,33-decahydroxy-4,17,24,34,37-pentaoxo-3,18,21,23,38,40-hexaoxaoctacyclo[20.16.1.129,32.02,20.05,10.011,16.025,30.031,36]tetraconta-5,7,9,11,13,15,25,27,29,35-decaen-39-yl] 3,4,5-trihydroxybenzoate
|
936.60
|
0.2
|
13
|
26
|
430.02
|
3
|
|
|
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-(3,4,5-trihydroxybenzoyl)oxy-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-3-yl] 3,4,5-trihydroxy-2-[[(1S,8R,9S,27R,29S,30R,39R)-2,2,14,15,16,19,20,35,36-nonahydroxy-3,6,11,24,32-pentaoxo-29-(3,4,5-trihydroxybenzoyl)oxy-7,10,25,28,31,40-hexaoxaoctacyclo[35.2.1.05,39.08,27.09,30.012,17.018,23.033,38]tetraconta-4,12,14,16,18,20,22,33,35,37-decaen-21-yl]oxy]benzoate
|
1571.10
|
0.5
|
23
|
44
|
729.68
|
15
|
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