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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(10R,11R)-10-[(14R,15S,19R)-19-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-2,3,4,7,8,9-hexahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl]-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-11-yl] 3,4,5-trihydroxybenzoate
|
1208.90
|
3.3
|
20
|
31
|
545.33
|
6
|
|
|
[(10R,11R)-10-[(14R,15S,19R)-19-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-6-yl]-2,3,4,7,8,9-hexahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl]-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-11-yl] 3,4,5-trihydroxybenzoate
|
1208.90
|
3.3
|
20
|
31
|
545.33
|
6
|
|
|
[4,5,6-Tris[(3,4,5-trihydroxybenzoyl)oxy]-2-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-3-yl] 3,4,5-trihydroxy-2-[(7,13,14-trihydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaen-6-yl)oxy]benzoate
|
1240.80
|
3.8
|
18
|
34
|
574.52
|
18
|
|
|
Phyllyraeoidin
|
1877.30
|
5.1
|
29
|
52
|
877.36
|
27
|
|
|
3,4,5-Trihydroxy-2-[[3,4,5,22,23-pentahydroxy-8,18-dioxo-11,12,13-tris[(3,4,5-trihydroxybenzoyl)oxy]-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-21-yl]oxy]benzoic acid
|
1106.80
|
2.7
|
18
|
31
|
531.17
|
12
|
|
|
(2S,3R)-2-(3,4-dihydroxyphenyl)-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
|
578.50
|
2.4
|
10
|
12
|
220.76
|
3
|
|
|
2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-6-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-6-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
|
1155.00
|
4.3
|
20
|
24
|
441.52
|
7
|
|
|
[3,4,5,21,22,23-Hexahydroxy-8,18-dioxo-11,13-bis[(3,4,5-trihydroxybenzoyl)oxy]-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-12-yl] 3,4,5-trihydroxy-2-[[3,4,21,22,23-pentahydroxy-8,18-dioxo-11,12,13-tris[(3,4,5-trihydroxybenzoyl)oxy]-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-5-yl]oxy]benzoate
|
1875.30
|
3.6
|
29
|
52
|
877.36
|
20
|
|
|
[4,5,6,20,21,22,25,26,30,31,32,38,46,47,48,51,52-Heptadecahydroxy-9,17,35,43,55,61-hexaoxo-12,64-bis[(3,4,5-trihydroxybenzoyl)oxy]-2,10,13,16,28,36,39,42,56,62-decaoxaundecacyclo[35.15.6.514,27.111,15.03,8.018,23.029,34.040,57.044,49.050,54.024,60]tetrahexaconta-1(52),3,5,7,18,20,22,24,26,29,31,33,44,46,48,50,53,59-octadecaen-58-yl] 3,4,5-trihydroxybenzoate
|
1721.20
|
3.6
|
26
|
48
|
799.6
|
9
|
|
|
(3S,4S)-4-[(Z)-1-carboxy-3-[[(1R,19R,21S,22R,23R)-6-(6-carboxy-2,3,4-trihydroxyphenoxy)-7,8,11,12,13,22-hexahydroxy-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-23-yl]oxy]-3-oxoprop-1-en-2-yl]-5,6,7-trihydroxy-1-oxo-3,4-dihydroisochromene-3-carboxylic acid
|
1138.80
|
0.7
|
18
|
33
|
565.31
|
12
|
|
|
2-Isopropyl-1-methoxy-4-methylbenzene
|
164.24
|
3.4
|
0
|
1
|
9.23
|
2
|
|
|
Pinusolide
|
346.50
|
4.5
|
0
|
4
|
52.6
|
5
|
|
|
5,13-bis(3,4-dihydroxyphenyl)-7-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-16-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-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
|
1137.00
|
4.6
|
18
|
23
|
410.29
|
6
|
|
|
[(1S,19R,21S,22R,23R)-23-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoyl]oxy-6,7,8,11,12,13-hexahydroxy-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-22-yl] 3,4,5-trihydroxybenzoate
|
1090.80
|
3.1
|
17
|
30
|
510.94
|
12
|
|
|
methyl (1S,4aR,7S,7aS)-7-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylate
|
404.40
|
-2.8
|
6
|
11
|
175.37
|
6
|
|
|
6H-Dibenzo[b,d]pyran-6-one
|
196.20
|
3
|
0
|
2
|
30.21
|
0
|
|
|
Ternatin A1
|
2108.80
|
|
27
|
52
|
835.3
|
42
|
|
|
Lupeol palmitate
|
665.10
|
17.8
|
0
|
2
|
26.3
|
17
|
|
|
Ancistrocladine
|
407.50
|
5
|
2
|
5
|
59.95
|
4
|
|
|
[3,4,5,13,21,22,23-Heptahydroxy-8,18-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-12-yl] 2-[[3,4,5,12,22,23-hexahydroxy-8,18-dioxo-11,13-bis[(3,4,5-trihydroxybenzoyl)oxy]-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-21-yl]oxy]-3,4,5-trihydroxybenzoate
|
1571.10
|
1.3
|
25
|
44
|
743.84
|
14
|
|
|
Camelliin A
|
1569.10
|
2.1
|
25
|
44
|
743.84
|
8
|
|
|
[(10R,11S,12R,15R)-3,4,5,13,21,22,23-heptahydroxy-8,18-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-12-yl] 2-[[(1R,2S,19R,22R)-7,8,9,12,13,14,20,29,30,33,34,35-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-28-yl]oxy]-3,4,5-trihydroxybenzoate
|
1569.10
|
2.1
|
25
|
44
|
743.84
|
8
|
|
|
[(11S,12R,13S,14R,15R,38R,41R,42R,59S)-4,5,6,21,22,23,26,27,31,32,33,39,47,48,49,52,53-heptadecahydroxy-9,18,36,44,56,62-hexaoxo-12,13-bis[(3,4,5-trihydroxybenzoyl)oxy]-2,10,17,29,37,40,43,57,63,64-decaoxaundecacyclo[39.12.5.414,28.111,15.138,42.03,8.019,24.030,35.045,50.051,55.025,61]tetrahexaconta-1(53),3,5,7,19,21,23,25,27,30,32,34,45,47,49,51,54,60-octadecaen-59-yl] 3,4,5-trihydroxybenzoate
|
1721.20
|
3.6
|
26
|
48
|
799.6
|
9
|
|
|
[4,5,6,21,22,23,26,27,31,32,33,39,47,48,49,52,53-Heptadecahydroxy-9,18,36,44,56,62-hexaoxo-12,13-bis[(3,4,5-trihydroxybenzoyl)oxy]-2,10,17,29,37,40,43,57,63,64-decaoxaundecacyclo[39.12.5.414,28.111,15.138,42.03,8.019,24.030,35.045,50.051,55.025,61]tetrahexaconta-1(53),3,5,7,19,21,23,25,27,30,32,34,45,47,49,51,54,60-octadecaen-59-yl] 3,4,5-trihydroxybenzoate
|
1721.20
|
3.6
|
26
|
48
|
799.6
|
9
|
|
|
[(10R,11S,12R,13S,15R)-3,4,5,24,25,26,32-heptahydroxy-8,18,29-trioxo-12,13-bis[(3,4,5-trihydroxybenzoyl)oxy]-9,14,17,22,30-pentaoxahexacyclo[17.13.0.02,7.010,15.021,31.023,28]dotriaconta-1(32),2,4,6,19,21(31),23,25,27-nonaen-11-yl] 3,4,5-trihydroxybenzoate
|
1088.70
|
3.1
|
16
|
30
|
499.94
|
9
|
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