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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
13-(3,4-dihydroxyphenyl)-5-(4-hydroxyphenyl)-7-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol
|
832.80
|
4
|
12
|
16
|
279.68
|
4
|
|
|
7-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol
|
832.80
|
4
|
12
|
16
|
279.68
|
4
|
|
|
5-(3,4-dihydroxyphenyl)-7-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-13-(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol
|
848.80
|
3.7
|
13
|
17
|
299.91
|
4
|
|
|
13-(3,4-dihydroxyphenyl)-7-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-5-(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol
|
848.80
|
3.7
|
13
|
17
|
299.91
|
4
|
|
|
(1R,5R,6R,7S,13S,21R)-13-(3,4-dihydroxyphenyl)-7-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-5-(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol
|
848.80
|
3.7
|
13
|
17
|
299.91
|
4
|
|
|
5,13-bis(3,4-dihydroxyphenyl)-7-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol
|
848.80
|
3.7
|
13
|
17
|
299.91
|
4
|
|
|
5,13-bis(3,4-dihydroxyphenyl)-7-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol
|
880.80
|
3
|
15
|
19
|
340.37
|
4
|
|
|
Prunus inhibitor b
|
560.50
|
2.7
|
8
|
11
|
189.53
|
2
|
|
|
3-[[(2R,3S,4S,5R,6S)-6-[3,5-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
|
534.40
|
0.4
|
7
|
14
|
233.65
|
8
|
|
|
3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
|
682.80
|
0.5
|
7
|
13
|
204.83
|
6
|
|
|
2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-bis[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]chromen-4-one
|
594.50
|
-0.4
|
9
|
15
|
249.2
|
5
|
|
|
Tenuifoliose A
|
1381.20
|
-2.1
|
14
|
35
|
524.09
|
32
|
|
|
(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(4E,6R,7R,12E)-1,7-dihydroxytetradeca-4,12-dien-8,10-diyn-6-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
558.60
|
-2.7
|
9
|
13
|
218.99
|
12
|
|
|
(1S,5S,9R)-9-Isopropyl-1-methyl-6-methylenespiro[4.5]decan-1-ol
|
222.37
|
3.7
|
1
|
1
|
20.23
|
1
|
|
|
(11S)-12,12-dimethyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7-tetraen-5-ol
|
284.40
|
5.7
|
1
|
1
|
20.23
|
1
|
|
|
(11R)-12,12-dimethyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7-tetraen-5-ol
|
284.40
|
5.7
|
1
|
1
|
20.23
|
1
|
|
|
[6-(Furan-3-yl)-16-(1-hydroxy-2-methoxy-2-oxoethyl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-11-en-14-yl] 2-methylpropanoate
|
556.60
|
3.6
|
1
|
9
|
129.34
|
7
|
|
|
Methyl 2-acetyloxy-2-[6-(furan-3-yl)-14-hydroxy-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-10-en-16-yl]acetate
|
528.60
|
2.3
|
1
|
9
|
129.34
|
6
|
|
|
[(1R,2S,5R,6R,10S,13R,14R,16S)-16-[(1R)-1-acetyloxy-2-methoxy-2-oxoethyl]-6-(furan-3-yl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-11-en-14-yl] (E)-2-methylbut-2-enoate
|
610.70
|
4.3
|
0
|
10
|
135.41
|
9
|
|
|
Methyl 2-acetyloxy-2-[14-acetyloxy-6-(furan-3-yl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-10-en-16-yl]acetate
|
570.60
|
2.8
|
0
|
10
|
135.41
|
8
|
|
|
[15-(1-Acetyloxy-2-methoxy-2-oxoethyl)-9-(furan-3-yl)-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.02,4.04,13.05,10]octadecan-17-yl] 2-methylpropanoate
|
614.70
|
3.6
|
0
|
11
|
147.94
|
9
|
|
|
[(1R,2R,4S,5R,9R,10R,13R,14S,15S,17R)-15-[(1R)-1-acetyloxy-2-methoxy-2-oxoethyl]-9-(furan-3-yl)-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.02,4.04,13.05,10]octadecan-17-yl] 2-methylpropanoate
|
614.70
|
3.6
|
0
|
11
|
147.94
|
9
|
|
|
methyl (2R)-2-[(1R,2R,4S,5R,9R,10R,13R,14S,15S,17R)-17-acetyloxy-9-(furan-3-yl)-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.02,4.04,13.05,10]octadecan-15-yl]-2-hydroxyacetate
|
544.60
|
2
|
1
|
10
|
141.87
|
6
|
|
|
Wjtlnwjehrbgsf-fegnkejysa-
|
568.70
|
3.7
|
0
|
9
|
121.64
|
7
|
|
|
(4R,5S)-4-[(3R)-3-hydroxybutyl]-5-(hydroxymethyl)-3,3-dimethylcyclohexan-1-one
|
228.33
|
1.2
|
2
|
3
|
57.53
|
4
|
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