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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1S,2R,3R,4S,5S,6S,8R,9S,10S,13S,16S,17R,18R)-11-ethyl-13-(hydroxymethyl)-6,8-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,9,16,18-tetrol
|
439.50
|
-1.7
|
5
|
8
|
122.85
|
4
|
|
|
Homalomenol D
|
238.37
|
3.2
|
1
|
2
|
29.46
|
1
|
|
|
(2S,3R,5S,8R,9S,10S,13S,14S,17R)-17-ethyl-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-16-one
|
334.50
|
3.9
|
2
|
3
|
57.53
|
1
|
|
|
(3R,7S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-3,7-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-1-one
|
444.70
|
7
|
2
|
3
|
57.53
|
6
|
|
|
(2R,3R,4S,5R,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,5-diol
|
739.00
|
6.5
|
7
|
11
|
178.53
|
13
|
|
|
methyl (1R,10S,12R,13E,17S,18R,19R)-13-ethylidene-17-methoxy-16-oxa-8,15-diazahexacyclo[10.6.1.01,9.02,7.010,15.014,18]nonadeca-2,4,6,8-tetraene-19-carboxylate
|
366.40
|
1.5
|
0
|
6
|
60.36
|
3
|
|
|
methyl (1R,10S,12R,13E,17S,18R,19R)-17-ethoxy-13-ethylidene-16-oxa-8,15-diazahexacyclo[10.6.1.01,9.02,7.010,15.014,18]nonadeca-2,4,6,8-tetraene-19-carboxylate
|
380.40
|
1.9
|
0
|
6
|
60.36
|
4
|
|
|
[(3R,8S,9S,10R,13R,14S,17R)-17-[(2R)-7-hydroxy-6-methylheptan-2-yl]-4,4,10,13,14-pentamethyl-2,3,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] (Z)-hexadec-9-enoate
|
681.10
|
15.4
|
1
|
3
|
46.53
|
21
|
|
|
[(1S,2R,5S,10S,14R,15S)-14-[(2R)-7-formyloxy-6-methylheptan-2-yl]-2,15-dimethyl-5-tricyclo[8.7.0.02,7]heptadec-7-enyl] (11E,13E)-hexadeca-11,13,15-trienoate
|
665.00
|
14.9
|
0
|
4
|
52.6
|
22
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-4-formyl-8-hydroxy-8a-[(2S,3R,4S,5R,6R)-4-hydroxy-5-[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]oxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxycarbonyl-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
1277.40
|
2.8
|
12
|
26
|
403.34
|
17
|
|
|
3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-[4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)prop-2-enoyloxymethyl]oxan-2-yl]oxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)prop-2-enoyloxymethyl]oxan-2-yl]oxyphenyl]prop-2-enoyl]oxymethyl]oxan-2-yl]oxyphenyl]-7-oxochromen-3-yl]oxyoxan-2-yl]methoxy]propanoic acid
|
1475.30
|
-2
|
17
|
36
|
570.23
|
29
|
|
|
[(6R)-6-[(1S,2R,5S,8S,14R,15S)-8-hydroxy-2,15-dimethyl-5-[(5E)-octa-5,7-dienoyl]oxy-14-tricyclo[8.7.0.02,7]heptadec-9-enyl]-2-methylheptyl] (5E)-octa-5,7-dienoate
|
665.00
|
11.6
|
1
|
5
|
72.83
|
20
|
|
|
[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-10-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-11-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
915.10
|
0.2
|
11
|
18
|
294.98
|
10
|
|
|
[(2S,3R,4S,5S)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-10-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-11-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1325.40
|
-3.7
|
17
|
30
|
471.74
|
17
|
|
|
(2S)-2-methyl-4-[(2R,12S,15R)-2,12,15-trihydroxy-15-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]pentadecyl]-2H-furan-5-one
|
624.90
|
9.9
|
4
|
7
|
116.45
|
28
|
|
|
methyl (1S,6Z,7S,9S,10S,12S,20R)-6-ethylidene-10-hydroxy-13-methyl-11-oxa-4,13-diazahexacyclo[10.7.1.01,10.04,9.07,20.014,19]icosa-14,16,18-triene-20-carboxylate
|
382.50
|
1.3
|
1
|
6
|
62.24
|
2
|
|
|
Pubescenine
|
495.60
|
-0.5
|
3
|
9
|
117.92
|
7
|
|
|
Consolidine
|
467.60
|
-0.6
|
3
|
8
|
100.85
|
6
|
|
|
(3R,4S,5R)-3,5-dihydroxy-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexene-1-carboxylic acid
|
320.29
|
0.6
|
4
|
7
|
124.29
|
5
|
|
|
[(1S,2R,3S,6S,9R,10S,11R,14R,17S,18R)-12-ethyl-17-methoxy-14-methyl-4-oxo-5-oxa-12-azahexacyclo[8.7.2.12,6.01,11.03,9.014,18]icosan-9-yl] acetate
|
417.50
|
2.6
|
0
|
6
|
65.07
|
4
|
|
|
4,5-dibromo-1-methyl-N-[3-[(4R)-1-methyl-2,5-dioxoimidazolidin-4-yl]propyl]pyrrole-2-carboxamide
|
436.10
|
1.6
|
2
|
3
|
83.44
|
5
|
|
|
(3R)-3,9-dihydroxy-8-methoxy-3-methyl-2,4-dihydroanthracen-1-one
|
272.29
|
2.6
|
2
|
4
|
66.76
|
1
|
|
|
D-gluco-Heptonic acid, (2xi)-
|
226.18
|
-4
|
7
|
8
|
158.68
|
6
|
|
|
methyl (1S,4aR,6S,7R)-4a,6-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
|
406.40
|
-1.9
|
6
|
11
|
175.37
|
5
|
|
|
(3R,8aR)-5,8a-dimethyl-3-prop-1-en-2-yl-2,3,7,8-tetrahydro-1H-naphthalene
|
202.33
|
4.9
|
0
|
0
|
0
|
1
|
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