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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(4R,4aR,6R,8aS)-4-hydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-3,4a,5,6,7,8-hexahydro-1H-naphthalen-2-one
|
254.36
|
1.4
|
2
|
3
|
57.53
|
1
|
|
|
(1R,2R,5S,6R,10R,11S,12R,15R,16R,18S,19R)-6-(furan-3-yl)-1,5,10,15-tetramethyl-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadec-8-ene-11,16,18-triol
|
428.60
|
3.1
|
3
|
5
|
83.06
|
1
|
|
|
CID 102090429
|
362.50
|
4.6
|
0
|
4
|
44.76
|
2
|
|
|
6-[(3S,3aR,6S,6aR)-6-(7-methoxy-1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-4-methoxy-1,3-benzodioxole
|
414.40
|
2.6
|
0
|
8
|
73.84
|
4
|
|
|
(5R,7R,8R,10S)-5-hydroxy-10-methyl-7-propan-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),3-dien-11-one
|
248.32
|
2.7
|
1
|
3
|
50.44
|
1
|
|
|
Neokurarinol
|
470.60
|
4.6
|
3
|
7
|
105.45
|
9
|
|
|
methyl (1R,12R,19R)-12-[(1R)-1-acetyloxyethyl]-5-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,9-tetraene-10-carboxylate
|
426.50
|
2.9
|
1
|
7
|
77.1
|
6
|
|
|
(2S,3aS,7R,9aS,9bS)-7-ethenyl-3,3,7,9b-tetramethyl-1,2,3a,4,5,8,9,9a-octahydrocyclopenta[a]naphthalene-2-carboxylic acid
|
302.50
|
5.3
|
1
|
2
|
37.3
|
2
|
|
|
(3S,4aR,6aR,6bS,8aR,9S,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,7,9-triol
|
474.70
|
5.8
|
4
|
4
|
80.92
|
1
|
|
|
(3S,4R,4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,6a,7,8,8a,10,11,12,13,14b-dodecahydropicene-3,4,10-triol
|
472.70
|
5.7
|
4
|
4
|
80.92
|
1
|
|
|
(3aS,4R,5Z,11aS)-4-hydroxy-6-methyl-3,10-dimethylidene-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-2,9-dione
|
262.30
|
1.2
|
1
|
4
|
63.6
|
0
|
|
|
(1S,3S,4S,5R,7S,8R,11S)-4,7,8,11-tetramethyltetracyclo[5.4.0.03,5.04,8]undecane
|
204.35
|
5
|
0
|
0
|
0
|
0
|
|
|
(3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(1S)-1-(methylamino)ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine
|
330.50
|
4.5
|
2
|
2
|
38.05
|
2
|
|
|
(2R)-4-hydroxy-2,5,7-trimethyl-6-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-2,3-dihydroinden-1-one
|
396.40
|
0.6
|
5
|
8
|
136.68
|
5
|
|
|
[(2S,5S,9S,10R,11R,15S,18R)-7,9,10,18-tetrahydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-15-yl] acetate
|
408.50
|
0.2
|
4
|
7
|
116.45
|
2
|
|
|
nirandinA
|
386.40
|
3.1
|
0
|
6
|
63.22
|
7
|
|
|
Dammar-20(21)-en-3,24,25-triol
|
460.70
|
7.7
|
3
|
3
|
60.69
|
5
|
|
|
CID 102090518
|
442.70
|
8.9
|
2
|
2
|
40.46
|
1
|
|
|
(E,3S,8S)-heptadec-9-en-4,6-diyne-3,8-diol
|
262.40
|
4.5
|
2
|
2
|
40.46
|
9
|
|
|
[(2S)-2-hexadecanoyloxy-3-[(2R,3R,4S,5R,6R)-6-[[(2S,3R,4S,5S,6R)-4-hexadecanoyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxypropyl] hexadecanoate
|
1131.60
|
18.2
|
6
|
16
|
237.2
|
56
|
|
|
I(2)-D-Glucopyranoside, 3-methyl-3-butenyl 6-O-D-apio-I(2)-D-furanosyl-
|
380.39
|
-2.1
|
6
|
10
|
158.3
|
8
|
|
|
3,4,5-trihydroxy-2-[(1R,2R,20R,42S,46R)-7,8,9,12,13,14,25,26,27,30,31,32,35,36,37-pentadecahydroxy-4,17,22,40,44-pentaoxo-3,18,21,41,43-pentaoxanonacyclo[27.13.3.138,42.02,20.05,10.011,16.023,28.033,45.034,39]hexatetraconta-5,7,9,11,13,15,23,25,27,29(45),30,32,34(39),35,37-pentadecaen-46-yl]benzoic acid
|
1086.70
|
2
|
19
|
30
|
532.94
|
2
|
|
|
(1R,2R,20R,42S,46S)-7,8,9,12,13,14,25,26,27,30,31,32,35,36,37-pentadecahydroxy-46-(6,7,13,14-tetrahydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,11,13-hexaen-5-yl)-3,18,21,41,43-pentaoxanonacyclo[27.13.3.138,42.02,20.05,10.011,16.023,28.033,45.034,39]hexatetraconta-5,7,9,11,13,15,23,25,27,29(45),30,32,34(39),35,37-pentadecaene-4,17,22,40,44-pentone
|
1218.80
|
2.7
|
19
|
33
|
576.29
|
1
|
|
|
(1R)-4-[(1E,3Z,5E,7E,9E,11E,13E,15Z,17E)-18-[(1R,4R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol
|
568.90
|
11
|
2
|
2
|
40.46
|
10
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-5-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-[[(1S,2S,4S,7S,8R,9S,12S,13R,16S)-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]icos-18-en-16-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
1521.60
|
-7
|
22
|
37
|
583.51
|
23
|
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