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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(3aS,5R,7aR)-5-hydroxy-4,4,7a-trimethyl-3a,5-dihydro-3H-1-benzofuran-2-one
|
196.24
|
1.1
|
1
|
3
|
46.53
|
0
|
|
|
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(2-hydroxy-5-prop-2-enylphenoxy)oxane-3,4,5-triol
|
312.31
|
0.2
|
5
|
7
|
119.61
|
5
|
|
|
Tricin 4'-O-(erythro-beta-guaiacylglyceryl) ether 7-O-beta-D-glucopyranoside
|
688.60
|
1
|
8
|
16
|
247.43
|
12
|
|
|
(2S,3R,4R)-2-(4-hydroxyphenyl)-6-[(2R,3R,4S)-3,7,8-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,4,7,8-tetrol
|
562.50
|
2
|
9
|
11
|
200.53
|
3
|
|
|
(2R,3R,4R)-2-(4-hydroxyphenyl)-6-[(2S,3R,4S)-3,7,8-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,4,7,8-tetrol
|
562.50
|
2
|
9
|
11
|
200.53
|
3
|
|
|
(2R,3S,4R)-2-(4-hydroxyphenyl)-6-[(2S,3R,4S)-3,7,8-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,4,7,8-tetrol
|
562.50
|
2
|
9
|
11
|
200.53
|
3
|
|
|
(2R,3R,4R)-2-(4-hydroxyphenyl)-6-[(2S,3R,4R)-3,7,8-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,4,7,8-tetrol
|
562.50
|
2
|
9
|
11
|
200.53
|
3
|
|
|
(2R,3S,4R)-2-(4-hydroxyphenyl)-6-[(2S,3R,4R)-3,7,8-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,4,7,8-tetrol
|
562.50
|
2
|
9
|
11
|
200.53
|
3
|
|
|
[(1S,2R,3S,5S,6S,8R,10S,11S,12R,14R,15S,16R,19S,21R)-6-(furan-3-yl)-3,12,16,19-tetrahydroxy-5,11,15-trimethyl-4-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicosan-21-yl] acetate
|
532.60
|
0.1
|
4
|
10
|
159.19
|
3
|
|
|
[(2S,4S,4aS,5S,7S,10aR)-4,5-dihydroxy-7-(3-hydroxyprop-1-en-2-yl)-1,1,4a-trimethyl-10-oxo-3,4,4b,5,6,7,8,10a-octahydro-2H-phenanthren-2-yl] acetate
|
392.50
|
1.3
|
3
|
6
|
104.06
|
4
|
|
|
[(1S,2R,3R,4R,6S,8S,9R,10S,11S,13S,15R)-2,8-diacetyloxy-3,6,15-trihydroxy-5,5,9-trimethyl-14-methylidene-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
|
494.60
|
1.2
|
3
|
9
|
139.59
|
6
|
|
|
1,6-Dihydroxy-3,7-dimethoxy-2-(3-methyl-2-butenyl)-8-(2-hydroxy-3-methyl-3-butenyl)-xanthone
|
440.50
|
5.6
|
3
|
7
|
109.36
|
7
|
|
|
1,6-Dihydroxy-3,7-dimethoxy-2-(2-hydroxy-3-methyl-3-butenyl)-8-(3-methyl-2-butenyl)-xanthone
|
440.50
|
5.6
|
3
|
7
|
109.36
|
7
|
|
|
1-Hydroxy-3,6,7-trimethoxy-2-(2-hydroxy-3-methyl-3-butenyl)-8-(3-methyl-2-butenyl)-xanthone
|
454.50
|
5.9
|
2
|
7
|
98.36
|
8
|
|
|
1,3-Dihydroxy-6,7-dimethoxy-2-(2-hydroxy-3-methyl-3-butenyl)-8-(3-methyl-2-butenyl)-xanthone
|
440.50
|
5.6
|
3
|
7
|
109.36
|
7
|
|
|
4-Hydroxy-7,8-dimethoxy-6-(3-methylbut-2-enyl)furo[3,2-b]xanthen-5-one
|
380.40
|
5.4
|
1
|
6
|
82.04
|
4
|
|
|
CID 101193936
|
364.40
|
2.1
|
1
|
6
|
82.06
|
0
|
|
|
methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(13S,15R,17R)-17-ethyl-16-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate
|
811.00
|
3.8
|
3
|
12
|
154.1
|
10
|
|
|
methyl 2-[(1S,2S,3S,7S,8S,12R,14R,15S,16R,17S,18S)-8-(furan-3-yl)-1,3,15-trihydroxy-7,16,18-trimethyl-10-oxo-9,13-dioxahexacyclo[14.2.1.02,14.03,12.04,18.07,12]nonadecan-17-yl]acetate
|
502.60
|
0.5
|
3
|
9
|
135.66
|
4
|
|
|
[(1S,2R,18R,20R,21R)-5-[5-[[(1R,2S,19R,20S,22R)-36-[5-[[(1R,2S,19R,20S,22R)-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-20-yl]oxycarbonyl]-2,3-dihydroxyphenoxy]-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32(37),33,35-dodecaen-20-yl]oxycarbonyl]-2,3-dihydroxyphenoxy]-6,7,8,11,12,13,26,27,28,31,32,33-dodecahydroxy-23,36-dioxo-3,16,19,22,37-pentaoxaheptacyclo[19.16.0.02,18.04,9.010,15.024,29.030,35]heptatriaconta-4,6,8,10(15),11,13,24,26,28,30,32,34-dodecaen-20-yl] 3,4,5-trihydroxybenzoate
|
2749.90
|
6.5
|
43
|
76
|
1276.4
|
13
|
|
|
(1S,2S,6S,7S,8R,11S,14S,15R,18R,20S)-20-methoxy-7,8,14,15,19,19-hexamethyl-21-oxahexacyclo[18.2.2.01,18.02,15.05,14.06,11]tetracos-4-ene-11-carboxylic acid
|
484.70
|
6.9
|
1
|
4
|
55.76
|
2
|
|
|
(2S,3R,4S,5S,6R)-2-[4-[(E)-2-[(2S,3S)-3-[(2S,3S)-3-(3,5-dihydroxyphenyl)-4-hydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydro-1-benzofuran-6-yl]-4-hydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydro-1-benzofuran-6-yl]ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
1167.10
|
2.3
|
16
|
24
|
397.52
|
15
|
|
|
(1R,2S,3S,4S)-2,3-dimethyl-5lambda4,6-dithiabicyclo[2.1.1]hexane 5-oxide
|
162.30
|
1.3
|
0
|
3
|
61.58
|
0
|
|
|
[(2R,3S,4S,5R,6S)-6-(4-benzoyl-3,5-dihydroxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
|
544.50
|
1.6
|
8
|
13
|
223.67
|
8
|
|
|
(3S,4R)-2-(3,4-dihydroxyphenyl)-4-[(2R,3S,4R)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-8-[(2R,3S,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
|
1443.30
|
5.2
|
25
|
30
|
551.9
|
9
|
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