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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1S,2R,4S,10R,11R,18S)-4-(3,5-dihydroxyphenyl)-2,10,18-tris(4-hydroxyphenyl)-1,10,11,18-tetramethyl-9-oxahexacyclo[9.7.2.02,4.05,19.08,20.012,17]icosa-5(19),6,8(20),12(17),13,15-hexaene-6,14,16-triol
|
748.80
|
9
|
8
|
9
|
171.07
|
4
|
|
|
(1S,2R,4S,10R,11R,18R)-4-(3,5-dihydroxyphenyl)-2,10,18-tris(4-hydroxyphenyl)-1,10,11,18-tetramethyl-9-oxahexacyclo[9.7.2.02,4.05,19.08,20.012,17]icosa-5(19),6,8(20),12(17),13,15-hexaene-6,14,16-triol
|
748.80
|
9
|
8
|
9
|
171.07
|
4
|
|
|
[(2S,3R,4S,5R)-2-[[(3R,3aR,4S,5aR,5bR,7aR,9S,11aR,11bR,13R,13aR,13bR)-3-acetyl-4,13-dihydroxy-3,5a,5b,8,8,11a,13b-heptamethyl-2,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-tetradecahydro-1H-cyclopenta[a]chrysen-9-yl]oxy]-3,5-dihydroxyoxan-4-yl] hydrogen sulfate
|
686.90
|
3.6
|
5
|
11
|
188.43
|
5
|
|
|
(2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5R)-2-[[(3aS,4S,5aR,5bR,7aR,9S,11aR,11bR,13R,13aR,13bS)-4,13-dihydroxy-5a,5b,8,8,11a,13b-hexamethyl-3-methylidene-2,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-tetradecahydro-1H-cyclopenta[a]chrysen-9-yl]oxy]-4,5-dihydroxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
708.90
|
3
|
7
|
11
|
178.53
|
4
|
|
|
Methyl 1-hydroxy-3,6-dimethyl-9,10-dioxoanthracene-2-carboxylate
|
310.30
|
3.6
|
1
|
5
|
80.67
|
2
|
|
|
Methyl 1-hydroxy-3,7-dimethyl-9,10-dioxoanthracene-2-carboxylate
|
310.30
|
3.6
|
1
|
5
|
80.67
|
2
|
|
|
1-[1-hydroxy-3-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxynaphthalen-2-yl]ethanone
|
524.50
|
-0.4
|
7
|
12
|
195.6
|
6
|
|
|
1-[1-hydroxy-3,5-dimethyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxynaphthalen-2-yl]ethanone
|
538.50
|
0
|
7
|
12
|
195.6
|
6
|
|
|
(8R,12R)-3,8,12,17-tetrahydroxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaen-9-one
|
328.40
|
2
|
4
|
5
|
97.99
|
0
|
|
|
1-[(3R,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-(methylamino)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
|
331.50
|
5.1
|
1
|
2
|
29.1
|
2
|
|
|
trans-Dihydronarciclasine
|
309.27
|
-0.6
|
5
|
7
|
128.48
|
0
|
|
|
(2S,3R,4S,5S,6R)-2-(3,8-dimethylnaphthalen-2-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
334.40
|
1.7
|
4
|
6
|
99.38
|
3
|
|
|
(E)-3-[(2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide
|
491.50
|
3.5
|
4
|
7
|
117.48
|
9
|
|
|
[(2S,3R,4R,5R,6S)-5-acetyloxy-2-[5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)chromen-3-yl]oxy-4-hydroxy-6-methyloxan-3-yl] 3,4,5-trihydroxybenzoate
|
658.50
|
2.2
|
9
|
17
|
283.34
|
8
|
|
|
[(2S,3R,4S,5R,6R)-4,5-dihydroxy-2-methyl-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxyoxan-2-yl]methoxy]oxan-3-yl] (E)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxymethyl]oxan-2-yl]oxyphenyl]prop-2-enoate
|
1286.20
|
|
15
|
30
|
468.88
|
23
|
|
|
[(2R,3S,4S,5R,6S)-6-[4-[(E)-3-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-2-methyl-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxyoxan-2-yl]methoxy]oxan-3-yl]oxy-3-oxoprop-1-enyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate
|
1256.10
|
|
15
|
29
|
459.65
|
22
|
|
|
[(2S,3R,4S,5R,6R)-6-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxy-5-methoxyphenyl)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-2-methyloxan-3-yl] (E)-3-[4-[(2S,3R,4S,5S,6R)-6-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]prop-2-enoate
|
1258.10
|
|
17
|
30
|
490.88
|
21
|
|
|
(2S)-N-[(2S)-1-[(3S,10S,13E)-10-butan-2-yl-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]-1-oxo-3-phenylpropan-2-yl]-2-(methylamino)-3-phenylpropanamide
|
681.80
|
5.1
|
4
|
7
|
138.1
|
11
|
|
|
(2S,3S)-N-[(2S,3S)-1-[(3S,10S,13E)-10-butan-2-yl-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-oxopentan-2-yl]-2-(dimethylamino)-3-methylpentanamide
|
627.80
|
5
|
3
|
7
|
129.31
|
11
|
|
|
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-sulfanylbutylsulfanyl)oxane-3,4,5-triol
|
284.40
|
-0.3
|
5
|
7
|
154.25
|
6
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,4'S,5'R,6R,7S,8R,9S,12S,13R,16S)-4'-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
1047.20
|
-0.7
|
12
|
22
|
335.06
|
10
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5'S,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
1031.20
|
0.3
|
11
|
21
|
314.83
|
10
|
|
|
(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6S)-6-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(1S,2S,4S,5'S,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
885.00
|
1.4
|
9
|
17
|
255.91
|
8
|
|
|
(3S,3aS,6S,6aR)-6-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)-3,3a,6,6a-tetrahydro-1H-furo[3,4-c]furan-4-one
|
402.40
|
2
|
2
|
8
|
103.68
|
5
|
|
|
(1S,4S,5S,6S,9S)-5-hydroxy-6-methyl-13-azatetracyclo[11.3.1.01,9.04,9]heptadecane-2,8-dione
|
291.40
|
0.3
|
1
|
4
|
57.61
|
0
|
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