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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(1S,4S,5R,8R,10S,13R,14R,17S,18R)-4,5,9,9,13,20,20-heptamethyl-2-oxo-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-10-yl] acetate
|
498.70
|
7
|
0
|
4
|
52.6
|
2
|
|
|
[(1S,2R,4S,5R,8R,10S,13R,14R,17S,18R)-2-hydroxy-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-10-yl] acetate
|
500.80
|
7.3
|
1
|
4
|
55.76
|
2
|
|
|
[(1R,2R,4S,5R,8R,10S,13R,14R,17S,18R)-2-hydroxy-4,5,9,9,13,20,20-heptamethyl-23-oxo-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-10-yl] acetate
|
514.70
|
7
|
1
|
5
|
72.83
|
2
|
|
|
[(1S,2R,4S,5R,8R,10S,13R,14R,17S,18R)-2-acetyloxy-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-10-yl] acetate
|
542.80
|
7.9
|
0
|
5
|
61.83
|
4
|
|
|
[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-8-oxo-2,3,4a,5,6,7,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-yl] acetate
|
498.70
|
7.2
|
1
|
4
|
63.6
|
3
|
|
|
[(3S,4aR,6aR,6bS,8aS,12aS,14R,14aR,14bS)-14-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-8-oxo-2,3,4a,5,6,7,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-yl] acetate
|
514.70
|
6.1
|
2
|
5
|
83.83
|
3
|
|
|
(3S,4aR,6aR,6bS,8R,8aS,12aS,14R,14aR,14bS)-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-3,8,14-triol
|
474.70
|
5.8
|
4
|
4
|
80.92
|
1
|
|
|
[(1S,2R,3R,4R,5S,6S,8R,9R,10R,13R,14R,16S,17S,18R)-11-ethyl-5,8,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
|
587.70
|
0.7
|
3
|
10
|
127.15
|
9
|
|
|
(13Z)-10-butan-2-yl-6-[2-(dimethylamino)-3-(1H-indol-3-yl)propanoyl]-16-methoxy-2-oxa-6,9,12-triazatricyclo[13.3.1.03,7]nonadeca-1(19),13,15,17-tetraene-8,11-dione
|
587.70
|
4.3
|
3
|
6
|
116
|
7
|
|
|
(10Z)-4,17-dihydroxy-3,11-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),10,14(18),15-heptaen-9-one
|
354.40
|
3.3
|
2
|
5
|
75.99
|
2
|
|
|
(10Z)-3,11,17-trimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),10,14(18),15-heptaen-9-one
|
352.40
|
4
|
0
|
4
|
44.76
|
3
|
|
|
(6aS)-1,2-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol
|
313.30
|
2.3
|
3
|
5
|
70.95
|
2
|
|
|
(6aS)-1,2,3,10-tetramethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-ol
|
357.40
|
2.5
|
2
|
6
|
69.18
|
4
|
|
|
(12S)-19-methoxy-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2,4(8),9,16(20),17-hexaene
|
295.30
|
2.8
|
1
|
4
|
39.72
|
1
|
|
|
Ciceritol
|
518.50
|
-6.9
|
11
|
16
|
268.68
|
7
|
|
|
[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-sulfooxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1201.30
|
-1.2
|
15
|
27
|
446.11
|
15
|
|
|
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E,2R)-4-[(1S,2S,4S)-1,2,4-trihydroxy-2,6,6-trimethylcyclohexyl]but-3-en-2-yl]oxyoxane-3,4,5-triol
|
406.50
|
-1.5
|
7
|
9
|
160.07
|
5
|
|
|
2-[(1S,2R,3S,4R,7R,9S,12R,14S,17R,18R,19R,21R,22R)-2-hydroxy-3,8,8,17,19-pentamethyl-9-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosan-22-yl]propan-2-yl acetate
|
662.80
|
4.3
|
4
|
10
|
144.14
|
5
|
|
|
N-[1-[(13Z)-10-benzyl-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.2.2.03,7]nonadeca-1(17),13,15,18-tetraen-6-yl]-4-methyl-1-oxopentan-2-yl]-2-(dimethylamino)propanamide
|
589.70
|
4
|
3
|
6
|
120.08
|
8
|
|
|
[(2R,3S)-3-[(7R,8S,9S,10R,13R,14S,17R)-7-acetyloxy-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-1-[(2S)-2,3,3-trimethyloxiran-2-yl]butan-2-yl] pyridine-3-carboxylate
|
589.80
|
6.6
|
0
|
7
|
95.09
|
9
|
|
|
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-[(2R,3S,4S,6S)-4-hydroxy-6-methyl-5-oxo-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]chromen-4-one
|
590.50
|
0
|
7
|
14
|
225.81
|
5
|
|
|
9,20,25-Trimethoxy-15-methyl-7,23,33-trioxa-15,30-diazaoctacyclo[19.9.3.23,6.18,12.114,18.024,32.027,31.022,34]heptatriaconta-1(30),3(37),4,6(36),8,10,12(35),18,20,22(34),24,26,31-tridecaene
|
590.70
|
5.8
|
0
|
8
|
70.98
|
3
|
|
|
(2R,3R,4S,5S,6R)-2-[[(3S,5R,6R,9S,10R,13R,14R,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-5,6-dihydroxy-10,13-dimethyl-1,2,3,4,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
606.80
|
4.5
|
6
|
8
|
139.84
|
8
|
|
|
N-[1-[(13Z)-10-benzyl-16-methoxy-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.3.1.03,7]nonadeca-1(19),13,15,17-tetraen-6-yl]-3-methyl-1-oxobutan-2-yl]-2-(dimethylamino)acetamide
|
591.70
|
3.2
|
3
|
7
|
129.31
|
8
|
|
|
beta-D-Galactopyranosiduronic acid, 5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-
|
592.50
|
0
|
8
|
15
|
246.04
|
6
|
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