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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-3,4-dihydroxy-5-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[3-[4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoyloxymethyl]oxan-2-yl]oxyoxan-2-yl]methyl (E)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[3-[4-hydroxy-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoyloxymethyl]oxan-2-yl]oxyphenyl]prop-2-enoate
|
1730.50
|
|
25
|
43
|
706.71
|
31
|
|
|
(1S,2S)-2,6,6,11-tetramethyltricyclo[5.4.0.02,8]undec-10-en-9-one
|
218.33
|
3.6
|
0
|
1
|
17.07
|
0
|
|
|
(3R,5S,8S,10R,13R,14S,17R)-17-[(2S)-4-[(1R)-2,2-dimethylcyclopropyl]butan-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
|
440.70
|
9.6
|
1
|
1
|
20.23
|
4
|
|
|
[(1R,2R,3E,5S,7R,8R,10S,13R)-2,7,13-triacetyloxy-10-hydroxy-8,12,15,15-tetramethyl-9-oxo-5-tricyclo[9.3.1.14,8]hexadeca-3,11-dienyl] (2S)-3-(dimethylamino)-2-hydroxy-3-phenylpropanoate
|
683.80
|
2.2
|
2
|
12
|
165.97
|
12
|
|
|
(1R)-4-[(3R)-3-hydroxybutyl]-3,5,5-trimethylcyclohex-3-en-1-ol
|
212.33
|
1.8
|
2
|
2
|
40.46
|
3
|
|
|
3-[(2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propyl acetate
|
402.40
|
2.7
|
2
|
7
|
94.45
|
9
|
|
|
(4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-4-[(2S,3R,4S,5R)-3-acetyloxy-4,5-dihydroxyoxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
925.10
|
2.7
|
8
|
17
|
260.59
|
10
|
|
|
(4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-4-[(2S,3R,4R,5R)-5-acetyloxy-3,4-dihydroxyoxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-9-(acetyloxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
967.10
|
3.3
|
7
|
18
|
266.66
|
12
|
|
|
(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-4-[(2S,3R,4R,5R)-5-acetyloxy-3,4-dihydroxyoxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
909.10
|
3.9
|
7
|
16
|
240.36
|
9
|
|
|
(1S,2S,4S,6R,7R,8R,10R,11R)-13-(2-hydroxyethyl)-11-methyl-5-methylidene-13-azapentacyclo[9.3.3.24,7.01,10.02,7]nonadecane-6,8-diol
|
361.50
|
2
|
3
|
4
|
63.93
|
2
|
|
|
methyl (1R,4S,9S,11S)-4-hydroxy-9-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,10-dioxatricyclo[5.3.1.04,8]undec-5-ene-11-carboxylate
|
404.40
|
-2.7
|
5
|
11
|
164.37
|
5
|
|
|
(6E,8Z,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene
|
536.90
|
15.6
|
0
|
0
|
0
|
16
|
|
|
6-[(2S)-3,3-dimethyloxiran-2-yl]-7-methoxychromen-2-one
|
246.26
|
2
|
0
|
4
|
51.97
|
2
|
|
|
(3S,6R)-6-[(3S,5R,8S,10S,13R,14S,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptane-2,3-diol
|
460.70
|
6.7
|
3
|
3
|
60.69
|
5
|
|
|
Epilubiminoic acid
|
252.35
|
3.5
|
2
|
3
|
57.53
|
2
|
|
|
2-Aminoheptanedioic acid
|
175.18
|
-2.6
|
3
|
5
|
100.62
|
6
|
|
|
(3R,6R,6aS,9S,10R,10aS)-9,10-dihydroxy-3,6,9-trimethyl-3a,4,5,6,6a,7,8,10-octahydro-3H-benzo[h][1]benzofuran-2-one
|
268.35
|
1.7
|
2
|
4
|
66.76
|
0
|
|
|
Dehydroisosulochrin
|
314.29
|
3.3
|
1
|
6
|
85.97
|
3
|
|
|
(4R)-2-hydroxy-4-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexa-2,5-dien-1-one
|
302.28
|
-1.6
|
5
|
8
|
136.68
|
3
|
|
|
methyl 2-[(3aS,7aR)-2,2-dimethyl-6-oxo-7,7a-dihydro-1,3-benzodioxol-3a-yl]acetate
|
240.25
|
0
|
0
|
5
|
61.83
|
3
|
|
|
[(3aR,4S,9aS,9bR)-9-formyl-6-methyl-3-methylidene-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] 2-(4-hydroxyphenyl)acetate
|
408.40
|
1.6
|
1
|
7
|
106.97
|
5
|
|
|
(3S,3aR,4S,9aS,9bR)-9-Formyl-2,3,3a,4,5,7,9a,9b-octahydro-3,6-dimethyl-2,7-dioxoazuleno[4,5-b]furan-4-yl 4-hydroxybenzeneacetate
|
410.40
|
1.7
|
1
|
7
|
106.97
|
5
|
|
|
(3aS,8aS,9R,9aS)-9-hydroxy-8-(hydroxymethyl)-5-methyl-1-methylidene-4,8a,9,9a-tetrahydro-3aH-azuleno[6,5-b]furan-2,6-dione
|
276.28
|
-0.7
|
2
|
5
|
83.83
|
1
|
|
|
2-(3-Oxobutan-2-yl)-5,7,16,18-tetraoxapentacyclo[11.7.0.03,11.04,8.015,19]icosa-1(20),3(11),4(8),9,13,15(19)-hexaen-12-one
|
352.30
|
3
|
0
|
6
|
71.06
|
2
|
|
|
(7S,8S,9R)-9-(1,3-benzodioxol-5-yl)-7,8-dimethyl-8,9-dihydro-7H-benzo[g][1,3]benzodioxol-6-one
|
338.40
|
4.1
|
0
|
5
|
53.99
|
1
|
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