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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1S,9R,12R)-12-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,5-dien-4-one
|
230.31
|
1.2
|
1
|
3
|
34.03
|
2
|
|
|
6-O-Methylipecoside
|
579.60
|
0
|
5
|
12
|
184.68
|
9
|
|
|
1,3-bis[(23S)-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaen-23-yl]propan-2-one
|
720.70
|
7.7
|
0
|
11
|
97.39
|
4
|
|
|
1,3-bis[(23R)-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaen-23-yl]propan-2-one
|
720.70
|
7.7
|
0
|
11
|
97.39
|
4
|
|
|
(5aS,10bR)-1,3,8-trihydroxy-10b-methoxy-2-(3-methylbut-2-enyl)-5aH-[1]benzofuro[2,3-b]chromen-11-one
|
384.40
|
4.2
|
3
|
7
|
105.45
|
3
|
|
|
[(2S)-3-acetyloxy-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
442.40
|
-0.5
|
5
|
11
|
172.21
|
11
|
|
|
(2R,3R,4S,5S,6R)-2-[[(1S,2R,4aS,5R,8aS)-2-hydroxy-5-[(E)-5-hydroxy-3-methylpent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxy]-6-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]oxane-3,4,5-triol
|
616.70
|
0.2
|
8
|
12
|
198.76
|
11
|
|
|
[(2R,3S,4S,5R,6R)-6-[[(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]-3,4,5-trihydroxyoxan-2-yl]methyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
|
837.30
|
13.9
|
3
|
7
|
105.45
|
24
|
|
|
[(2S,3S)-5-acetyl-6-hydroxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-3-yl] (Z)-2-methylbut-2-enoate
|
316.30
|
3.8
|
1
|
5
|
72.83
|
5
|
|
|
[(2S,3R)-5-acetyl-6-hydroxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-3-yl] (Z)-2-methylbut-2-enoate
|
316.30
|
3.8
|
1
|
5
|
72.83
|
5
|
|
|
[(1S,2R,4S,5R,6R,7S,9R)-4,5-diacetyloxy-6-(acetyloxymethyl)-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate
|
516.60
|
3.6
|
0
|
9
|
114.43
|
10
|
|
|
5,18-Dihydroxy-3,4-dimethoxytricyclo[13.3.1.02,7]nonadeca-1(18),2,4,6,15(19),16-hexaen-12-one
|
356.40
|
3.7
|
2
|
5
|
75.99
|
2
|
|
|
1-[(23S)-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaen-23-yl]-3-[(23R)-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaen-23-yl]propan-2-one
|
720.70
|
7.7
|
0
|
11
|
97.39
|
4
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3S,4R,5R,6S)-6-[(2S,3R,4S,5R,6R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
1211.30
|
-2.1
|
15
|
27
|
414.21
|
14
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3S,4R,5R,6S)-6-[(2S,3R,4S,5R,6R)-2-[(2S,3R,4S,5R,6R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
1373.50
|
-3.7
|
18
|
32
|
493.36
|
17
|
|
|
[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,2S,4aR,5R,8aR)-1,4a-dimethyl-6-methylidene-5-[(E)-3-methyl-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-3-enyl]-1,2,3,4,5,7,8,8a-octahydronaphthalene-2-carboxylate
|
644.70
|
1.1
|
8
|
13
|
215.83
|
11
|
|
|
methyl (2S,3S,4S,5R,6S)-5-acetyloxy-3,4-dihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylate
|
502.40
|
2
|
4
|
12
|
182.19
|
7
|
|
|
2-[(10R,11S,12R,15R)-3,4,5,13,22,23-hexahydroxy-8,18-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-12-[3,4,5-trihydroxy-2-(7,13,14-trihydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaen-6-yl)benzoyl]oxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(19),2,4,6,20,22-hexaen-21-yl]-3,4,5-trihydroxybenzoic acid
|
1222.80
|
2.8
|
19
|
33
|
576.29
|
9
|
|
|
3-[(1S,3R,5S,7R,9S,10S,12R,14S,15R,18R,19R,21R,22S,23R)-9,10,21,22-tetrahydroxy-7,18-dimethyl-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosan-19-yl]-2H-furan-5-one
|
520.60
|
0.9
|
4
|
9
|
134.91
|
1
|
|
|
4-[2-[[(1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methoxycarbonyl]anilino]-4-oxobutanoic acid
|
686.80
|
-1.5
|
4
|
12
|
173.32
|
13
|
|
|
(3S,4S,5S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-4,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
414.70
|
9.3
|
1
|
1
|
20.23
|
4
|
|
|
(3S,4S,5S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-4,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
416.70
|
10.1
|
1
|
1
|
20.23
|
5
|
|
|
6-methyl-1-[[3-(4-methylpent-3-enyl)oxiran-2-yl]methyl]-9H-carbazole-2,7-diol
|
351.40
|
5.4
|
3
|
3
|
68.78
|
5
|
|
|
Asarinin
|
354.40
|
2.7
|
0
|
6
|
55.38
|
2
|
|
|
(2S,3R,4S,5R,6R)-2-[(2S)-2,3-dihydroxypropoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
254.23
|
-3.4
|
6
|
8
|
139.84
|
5
|
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