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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
methyl (9S,12S,13Z,16S,17R,18S)-13-ethylidene-18-hydroxy-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-17-carboxylate
|
366.50
|
2.1
|
1
|
5
|
53.01
|
2
|
|
|
[(1R,2R,4S,7S,8S,11R,12S,13S,15R,17S)-7-(furan-3-yl)-15-hydroxy-1,8,12,16,16-pentamethyl-5,19-dioxo-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadecan-13-yl] acetate
|
500.60
|
3.1
|
1
|
8
|
115.57
|
3
|
|
|
(4R,4aR,6aS,6aS,6bR,8aR,12aR,14aR,14bS)-3-methoxy-4,4a,6a,6b,8a,11,11,14a-octamethyl-5,6,6a,7,8,9,10,12,12a,13,14,14b-dodecahydro-4H-picen-1-one
|
454.70
|
9.5
|
0
|
2
|
26.3
|
1
|
|
|
(4R,4aS,6aS,6aS,6bR,8aR,12aR,14aR,14bS)-4a-(hydroxymethyl)-4,6a,6b,8a,11,11,14a-heptamethyl-5,6,6a,7,8,9,10,12,12a,13,14,14b-dodecahydro-4H-picene-1,3-dione
|
456.70
|
7.8
|
1
|
3
|
54.37
|
1
|
|
|
(4R,4aS,6aS,6aS,6bR,8aR,12aR,14aR,14bS)-4,6a,6b,8a,11,11,14a-heptamethyl-1,3-dioxo-5,6,6a,7,8,9,10,12,12a,13,14,14b-dodecahydro-4H-picene-4a-carboxylic acid
|
470.70
|
7.7
|
1
|
4
|
71.44
|
1
|
|
|
(4R,4aR,6R,6aS,6aS,6bR,8aR,12aR,14aR,14bS)-6-hydroxy-4,4a,6a,6b,8a,11,11,14a-octamethyl-5,6,6a,7,8,9,10,12,12a,13,14,14b-dodecahydro-4H-picene-1,3-dione
|
456.70
|
7.8
|
1
|
3
|
54.37
|
0
|
|
|
4-[[5-[2-[2-[2-(4-Hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]-4-(hydroxymethyl)oxolan-3-yl]methyl]-2-methoxyphenol
|
895.00
|
4.2
|
6
|
15
|
204.45
|
15
|
|
|
(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]oxyoxane-3,4,5-triol
|
460.50
|
-1.4
|
7
|
11
|
178.53
|
9
|
|
|
[(1R,9R,10R,12R,19S,20R)-20-methyl-8,16-diazahexacyclo[10.6.1.19,12.01,9.02,7.016,19]icosa-2,4,6,13-tetraen-10-yl]methanol
|
308.40
|
2.6
|
2
|
3
|
35.5
|
1
|
|
|
methyl (12R,13S,14Z)-12-(acetyloxymethyl)-14-ethylidene-1,10-diazatetracyclo[11.2.2.03,11.04,9]heptadeca-3(11),4,6,8-tetraene-12-carboxylate
|
382.50
|
1.9
|
1
|
5
|
71.63
|
5
|
|
|
(4aR,5S,8aS,9aR)-9a-ethoxy-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-2-one
|
278.40
|
3.8
|
0
|
3
|
35.53
|
2
|
|
|
[(1S,3S,13S,14S,17S,18S,19S,20R,21S,24R,25S)-18,19,21-triacetyloxy-24,25-dihydroxy-3,13,14,25-tetramethyl-6,15,22-trioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-20-yl]methyl acetate
|
719.70
|
-0.5
|
2
|
17
|
237.45
|
9
|
|
|
8-(beta-D-Glucopyranosyloxy)-4',5,7-trihydroxy-3'-methoxyflavone
|
478.40
|
0.5
|
7
|
12
|
199.51
|
5
|
|
|
(2R)-2-((1R)-1-((3R,8R,9S,10R,13R,14R,17S)-3,14-Dihydroxy-10,13-dimethyl-1-oxo-3,4,7,8,9,11,12,15,16,17-decahydro-2H-cyclopenta(a)phenanthren-17-yl)-1-hydroxyethyl)-5-(hydroxymethyl)-4-methyl-2,3-dihydropyran-6-one
|
488.60
|
1.6
|
4
|
7
|
124.29
|
3
|
|
|
[(3aR,4R,5aR,6R,9aS,9bR)-6-hydroxy-5a,9-dimethyl-3-methylidene-2-oxo-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-4-yl] (Z)-2-(hydroxymethyl)but-2-enoate
|
362.40
|
1.5
|
2
|
6
|
93.06
|
4
|
|
|
[(2E)-2-[(6R,7S)-6-hydroxy-7-[(E,4R)-8-hydroxy-4,8-dimethyl-5-oxonon-6-enyl]-7-methyloxepan-3-ylidene]ethyl] acetate
|
396.50
|
1.4
|
2
|
6
|
93.06
|
10
|
|
|
(6-Hydroxy-5a-methyl-3,9-dimethylidene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-4-yl) 3-hydroxy-2-methylidenebutanoate
|
362.40
|
1.8
|
2
|
6
|
93.06
|
4
|
|
|
(1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carbaldehyde
|
360.36
|
-1.8
|
5
|
9
|
145.91
|
4
|
|
|
[(3S,4S,5S,10S,13R,14R,17R)-17-[(2R)-5,6-dimethylhept-5-en-2-yl]-4,10,13,14-tetramethyl-1,2,3,4,5,6,7,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
|
468.80
|
9.7
|
0
|
2
|
26.3
|
6
|
|
|
(2S,3S)-8-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-2-(hydroxymethyl)-5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-c]xanthen-7-one
|
452.40
|
3.4
|
3
|
9
|
127.82
|
4
|
|
|
[(1S,3R,6S,8S,11S,12S,15R,16R)-12,16-dimethyl-15-[(2R)-6-methylhept-5-en-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate
|
440.70
|
9.5
|
0
|
2
|
26.3
|
6
|
|
|
(1S,8S,9R,10S)-5'-(furan-3-yl)-10-methylspiro[2-oxatricyclo[6.3.1.04,12]dodec-4(12)-ene-9,3'-furan]-2',3-dione
|
326.30
|
2.5
|
0
|
5
|
65.74
|
1
|
|
|
methyl (1R,12R,13Z,18R)-13-ethylidene-8-methyl-10-oxo-8,15-diazapentacyclo[10.5.1.01,9.02,7.09,15]octadeca-2,4,6-triene-18-carboxylate
|
352.40
|
1.7
|
0
|
5
|
49.85
|
2
|
|
|
(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26Z)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,30-tetradecaenal
|
548.80
|
14.2
|
0
|
1
|
17.07
|
16
|
|
|
(1R,2S,3S,4S,5S,12S)-12-hydroxy-4-methyl-13-methylidene-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracyclo[10.2.1.01,9.03,8]pentadeca-6,8-diene-2,4-dicarboxylic acid
|
508.50
|
-2.2
|
7
|
11
|
194.21
|
5
|
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