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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1R,15S,16S,17S)-16-ethenyl-4-hydroxy-5-methoxy-15-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-14-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6,12-tetraen-11-one
|
667.70
|
-2.3
|
8
|
15
|
237.53
|
8
|
|
|
[(2S,3R,4S,5R,6R)-2,4,5-tris[(3,4,5-trihydroxybenzoyl)oxy]-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-3-yl] 2-[[(1S,19R,21S,22R,23R)-6,7,8,11,13,22,23-heptahydroxy-3,16-dioxo-21-(3,4,5-trihydroxybenzoyl)oxy-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaen-12-yl]oxy]-3,4,5-trihydroxybenzoate
|
1573.10
|
2.7
|
25
|
44
|
743.84
|
21
|
|
|
(2S)-4-[(13R)-13-hydroxy-13-[(2R,5R)-5-[(1R,8R,9S)-1,8,9-trihydroxypentadecyl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
|
624.90
|
9.9
|
4
|
7
|
116.45
|
28
|
|
|
(2S)-4-[(13R)-13-hydroxy-13-[(2R,5R)-5-[(1R,8R,9R)-1,8,9-trihydroxypentadecyl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
|
624.90
|
9.9
|
4
|
7
|
116.45
|
28
|
|
|
(2R)-2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-1,4-benzoxazin-3-one
|
311.29
|
-1.3
|
5
|
7
|
128.48
|
2
|
|
|
(6aR,11aR)-8-[1-[2-[2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5,6-dihydroxy-7-(3-methylbut-2-enyl)-1-benzofuran-3-yl]ethenyl]-2,10-bis(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
|
811.00
|
13.3
|
6
|
9
|
152.98
|
11
|
|
|
[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
315.40
|
3.5
|
1
|
4
|
49.77
|
5
|
|
|
methyl (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10,14b-dihydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,3,4,5,6,6a,7,8,8a,10,11,12-dodecahydropicene-2-carboxylate
|
500.70
|
5.3
|
2
|
5
|
83.83
|
2
|
|
|
(4aS,7R,8R,8aS)-8-[2-(furan-3-yl)ethyl]-7,8-dimethyl-4-[[(Z)-2-methylbut-2-enoyl]oxymethyl]-1,2,5,6,7,8a-hexahydronaphthalene-4a-carboxylic acid
|
414.50
|
5.4
|
1
|
5
|
76.74
|
8
|
|
|
(2,9-Diacetyloxy-7-ethenyl-3,8a-dihydroxy-1,1,4a,7-tetramethyl-5,8-dioxo-2,3,4,4b,6,9,10,10a-octahydrophenanthren-4-yl) benzoate
|
570.60
|
2.8
|
2
|
10
|
153.5
|
8
|
|
|
(6R)-3,8,10-trihydroxy-2-methoxy-11-(3-methylbut-2-enyl)-6-(2-methylprop-1-enyl)-6H-chromeno[4,3-b]chromen-7-one
|
450.50
|
5.8
|
3
|
7
|
109.36
|
4
|
|
|
5-[(3S,5S,8R,9S,10S,11S,13S,14S,17S)-3,11,14-trihydroxy-10,13-dimethyl-12-oxo-2,3,4,5,6,7,8,9,11,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one
|
416.50
|
1.7
|
3
|
6
|
107.97
|
1
|
|
|
ethyl (2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,7R,8S,8aR,9R,10R,12aS,14aR,14bR)-10-[(2Z)-3,7-dimethylocta-2,6-dienoyl]oxy-7,8-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9-[(2R)-2-methylbutanoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylate
|
1239.50
|
5.7
|
11
|
23
|
356.81
|
22
|
|
|
(1R,3R,5R,7S,10S,11E)-1,10-dihydroxy-3,6,6,10,14-pentamethyltricyclo[10.3.0.05,7]pentadeca-11,14-diene-2,13-dione
|
332.40
|
2.4
|
2
|
4
|
74.6
|
0
|
|
|
(3aR,6R,7aS)-3a-(3,4-dimethoxyphenyl)-1-methyl-3,6,7,7a-tetrahydro-2H-indol-6-ol
|
289.40
|
2.3
|
1
|
4
|
41.93
|
3
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-[(2R,3S,4R,5R)-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxycarbonyl-8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
|
1221.30
|
-0.4
|
15
|
27
|
429.89
|
13
|
|
|
3,7,11,16,20-Pentamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-ene-7,8,19,20-tetrol
|
446.70
|
4.1
|
4
|
4
|
80.92
|
0
|
|
|
2-[2-hydroxy-6-methoxy-4-[(3R,4R)-4-(3-methoxyphenyl)dioxetan-3-yl]phenyl]-3-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenol
|
544.60
|
6
|
2
|
8
|
95.84
|
10
|
|
|
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,15R,16R,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-piperidine]-15,16-diol
|
431.70
|
5.2
|
3
|
4
|
61.72
|
0
|
|
|
2-[(2R,4aS,8R,8aR)-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,8a-hexahydronaphthalen-2-yl]prop-2-enoic acid
|
250.33
|
2.8
|
2
|
3
|
57.53
|
2
|
|
|
(6R)-6-[(Z,1S)-1-hydroxynon-3-enyl]oxan-2-one
|
240.34
|
3.4
|
1
|
3
|
46.53
|
7
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aS,12aS,14aS,14bR)-8a-[(2S,3R,4S,5S,6R)-5-acetyloxy-4-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxycarbonyl-4-hydroxy-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
|
1395.50
|
-1.6
|
16
|
32
|
494.88
|
18
|
|
|
[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (4aR,6aR,6aS,6bR,8aR,9S,10R,12aR,14bR)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
929.10
|
0.8
|
11
|
18
|
294.98
|
10
|
|
|
(2R)-2-[(11R)-11-[(2R,5R)-5-[(1S,10S)-1,10-dihydroxytridecyl]oxolan-2-yl]-11-hydroxyundecyl]-4-(2-oxopropyl)-2H-furan-5-one
|
594.90
|
8
|
3
|
7
|
113.29
|
26
|
|
|
[(1S,2R,4S,5R,10S,12S,13R,15S,16R,21S)-16-acetyloxy-9,20-dioxo-3,14-dioxa-8,19-diazaoctacyclo[10.10.0.01,7.02,4.08,21.010,19.012,18.013,15]docosa-6,17-dien-5-yl] acetate
|
440.40
|
-1.3
|
0
|
8
|
118.28
|
4
|
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