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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Geleganidine B
|
676.80
|
3.4
|
0
|
8
|
102.26
|
6
|
|
|
(1R,2S,4S,7Z,8R,9S)-7-ethylidene-5-[(1R,2S,4S,7Z,8R,9S)-7-ethylidene-1'-methoxy-2'-oxospiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-5-carbonyl]-1',6'-dimethoxyspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-2'-one
|
736.90
|
2.6
|
0
|
8
|
110.32
|
3
|
|
|
(1R,3R,4Z,8S,10S,11S)-8-(2-amino-4-methoxyphenyl)-4-ethylidene-13-oxa-6-azatetracyclo[6.5.0.03,11.06,10]tridecan-7-one
|
340.40
|
1.1
|
1
|
4
|
64.79
|
2
|
|
|
(7E,9E,15E)-17-hydroxyheptadeca-7,9,15-trien-11,13-diyn-4-one
|
256.34
|
2.9
|
1
|
2
|
37.3
|
8
|
|
|
(4S,5R,6R)-6-[(Z)-heptadec-8-enyl]-4,5,6-trihydroxycyclohex-2-en-1-one
|
380.60
|
6
|
3
|
4
|
77.76
|
15
|
|
|
(4S,5R,6R)-4,5,6-trihydroxy-6-[(Z)-nonadec-10-enyl]cyclohex-2-en-1-one
|
408.60
|
7.1
|
3
|
4
|
77.76
|
17
|
|
|
(4S,5R,6R)-6-[(Z)-henicos-12-enyl]-4,5,6-trihydroxycyclohex-2-en-1-one
|
436.70
|
8.1
|
3
|
4
|
77.76
|
19
|
|
|
5'-O-Methyl-3-hydroxyflemingin A
|
436.50
|
6
|
3
|
6
|
96.22
|
7
|
|
|
(E)-3-(2,5-dihydroxyphenyl)-1-[5-hydroxy-8-methoxy-2-methyl-2-(4-methylpent-3-enyl)chromen-6-yl]prop-2-en-1-one
|
436.50
|
6
|
3
|
6
|
96.22
|
7
|
|
|
5-hydroxy-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
|
448.40
|
0.7
|
7
|
11
|
190.28
|
3
|
|
|
[(1S,2R,7S,9R,11R,12R,15S,16R)-15-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-12,15-dihydroxy-2-methyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-16-yl]methyl acetate
|
544.60
|
1.1
|
3
|
9
|
142.89
|
5
|
|
|
[(3R,4aR,5S,6R,6aR,10R,10bR)-10-benzoyloxy-5-hydroxy-4a,6a,7,10b-tetramethyl-2'-oxospiro[2,5,6,9,10,10a-hexahydro-1H-benzo[f]chromene-3,4'-oxolane]-6-yl] pyridine-3-carboxylate
|
575.60
|
3.9
|
1
|
9
|
121.25
|
6
|
|
|
[(3S,4aR,5S,6R,6aR,10R,10bR)-5,10-dibenzoyloxy-4a,6a,7,10b-tetramethyl-2'-oxospiro[2,5,6,9,10,10a-hexahydro-1H-benzo[f]chromene-3,4'-oxolane]-6-yl] pyridine-3-carboxylate
|
679.80
|
6.2
|
0
|
10
|
127.32
|
9
|
|
|
[(3S,4aR,5S,6R,6aR,10R,10bR)-5,6-diacetyloxy-4a,6a,7,10b-tetramethyl-2'-oxospiro[2,5,6,9,10,10a-hexahydro-1H-benzo[f]chromene-3,4'-oxolane]-10-yl] benzoate
|
554.60
|
3.9
|
0
|
9
|
114.43
|
7
|
|
|
[(1S,3R,4aR,5S,6R,6aR,10bS)-6-benzoyloxy-5-hydroxy-4a,6a,10b-trimethyl-7-methylidene-2'-oxospiro[1,2,5,6,8,9,10,10a-octahydrobenzo[f]chromene-3,4'-oxolane]-1-yl] benzoate
|
574.70
|
5.4
|
1
|
8
|
108.36
|
6
|
|
|
[(1S,3R,4aR,5S,6R,6aR,10bS)-5-hydroxy-4a,6a,7,10b-tetramethyl-2'-oxo-6-(pyridine-3-carbonyloxy)spiro[2,5,6,9,10,10a-hexahydro-1H-benzo[f]chromene-3,4'-oxolane]-1-yl] pyridine-3-carboxylate
|
576.60
|
3
|
1
|
10
|
134.14
|
6
|
|
|
[(1R,2S,3R,4R,8aR)-2-benzoyloxy-3-hydroxy-3,4,8,8a-tetramethyl-4-[(E)-2-(5-oxo-2H-furan-3-yl)ethenyl]-2,4a,5,6-tetrahydro-1H-naphthalen-1-yl] pyridine-3-carboxylate
|
557.60
|
4.7
|
1
|
8
|
112.02
|
8
|
|
|
[(1R,2S,3R,4R,8aR)-3-hydroxy-3,4,8,8a-tetramethyl-4-[(E)-2-(5-oxo-2H-furan-3-yl)ethenyl]-2-(pyridine-3-carbonyloxy)-2,4a,5,6-tetrahydro-1H-naphthalen-1-yl] pyridine-3-carboxylate
|
558.60
|
3.6
|
1
|
9
|
124.91
|
8
|
|
|
[(1R,2S,3R,4R,8aR)-1-benzoyloxy-3-hydroxy-3,4,8,8a-tetramethyl-4-[(E)-2-(5-oxo-2H-furan-3-yl)ethenyl]-2,4a,5,6-tetrahydro-1H-naphthalen-2-yl] pyridine-3-carboxylate
|
557.60
|
4.7
|
1
|
8
|
112.02
|
8
|
|
|
[(1R,2S,3R,4S,8aR)-4-[(1S)-1-acetyloxy-2-(4-hydroxy-5-oxo-2H-furan-3-yl)ethyl]-2,3-dihydroxy-3,4,8,8a-tetramethyl-2,4a,5,6-tetrahydro-1H-naphthalen-1-yl] pyridine-3-carboxylate
|
529.60
|
2
|
3
|
10
|
152.48
|
8
|
|
|
[(1R,2S,3R,4S,8aR)-4-[(1S)-1-acetyloxy-2-(4-hydroxy-5-oxo-2H-furan-3-yl)ethyl]-3-hydroxy-3,4,8,8a-tetramethyl-2-(pyridine-3-carbonyloxy)-2,4a,5,6-tetrahydro-1H-naphthalen-1-yl] pyridine-3-carboxylate
|
634.70
|
3.1
|
2
|
12
|
171.44
|
11
|
|
|
[(1R,2S,3R,4S,8aR)-4-[(1S)-1-acetyloxy-2-(4-hydroxy-5-oxo-2H-furan-3-yl)ethyl]-2-benzoyloxy-3-hydroxy-3,4,8,8a-tetramethyl-2,4a,5,6-tetrahydro-1H-naphthalen-1-yl] pyridine-3-carboxylate
|
633.70
|
4.2
|
2
|
11
|
158.55
|
11
|
|
|
(2R,3R,4R,5S)-2-[[(1S,4aR,4bS,7S,10aR)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthren-1-yl]methoxy]-5-(hydroxymethyl)oxolane-3,4-diol
|
420.60
|
4.4
|
3
|
5
|
79.15
|
5
|
|
|
[(2S,3R,4R,5R)-5-[[(1S,4aR,4bS,7S,10aR)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthren-1-yl]methoxy]-3,4-dihydroxyoxolan-2-yl]methyl acetate
|
462.60
|
4.4
|
2
|
6
|
85.22
|
7
|
|
|
(1R,3R,6S,8R,11R,12S,13R,15S,16R,17S)-13,17-dihydroxy-15-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxypentacyclo[9.7.0.01,3.03,8.012,16]octadecan-14-one
|
636.80
|
2
|
6
|
10
|
166.14
|
4
|
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