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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
1-(5-Carboxy-2,3-dihydroxyphenoxy)-3-(6-carboxy-2,3,4-trihydroxyphenyl)-8-[[6,7,8,11,12,13,22-heptahydroxy-21-(hydroxymethyl)-3,16-dioxo-2,17,20-trioxatetracyclo[16.3.1.04,9.010,15]docosa-4,6,8,10,12,14-hexaen-19-yl]oxycarbonyl]-4,6-dihydroxydibenzo-p-dioxin-2-carboxylic acid
|
1104.70
|
1.5
|
18
|
31
|
531.17
|
10
|
|
|
[11,37-Diformyl-4,5,6,14,20,21,22,25,26,30,31,32,44,45,46,49,50,56-octadecahydroxy-9,17,35,41,53,59-hexaoxo-38-(3,4,5-trihydroxybenzoyl)oxy-2,10,16,28,36,40,54,60-octaoxanonacyclo[37.11.6.413,27.03,8.018,23.029,34.042,47.048,52.024,58]hexaconta-1(50),3,5,7,18,20,22,24,26,29,31,33,42,44,46,48,51,57-octadecaen-12-yl] 3,4,5-trihydroxybenzoate
|
1569.10
|
1.8
|
24
|
44
|
748.52
|
8
|
|
|
Sanguiin H 6
|
1871.30
|
3.6
|
29
|
52
|
877.36
|
12
|
|
|
D-Glucose, cyclic 4,6-(4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate) 2-(2-((5,10-dihydro-3,7,8-trihydroxy-5,10-dioxo(1)benzopyrano(5,4,3-cde)-(1)benzopyran-2-yl)oxy)-3,4,5-trihydroxybenzoate) 3-(3,4,5-trihydroxybenzoate), stereoisomer
|
1086.70
|
2
|
16
|
30
|
515.6
|
11
|
|
|
Woodfordin C
|
1721.20
|
2.1
|
26
|
48
|
807.44
|
10
|
|
|
Woodfordin D
|
2505.70
|
3
|
38
|
70
|
1181.7
|
21
|
|
|
Anabasamine
|
253.34
|
1.6
|
0
|
3
|
29.02
|
2
|
|
|
(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) 2-[[12-(11-formyl-3,4,5,16,17,18-hexahydroxy-8,13-dioxo-9,12-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaen-10-yl)-3,4,11,17,18,19-hexahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-5-yl]oxy]-3,4,5-trihydroxybenzoate
|
1719.20
|
1.6
|
27
|
48
|
818.44
|
7
|
|
|
Crotepoxide
|
362.30
|
0.8
|
0
|
8
|
103.96
|
8
|
|
|
Vitisin A
|
906.90
|
9.8
|
10
|
12
|
220.76
|
7
|
|
|
(1S,14R)-10,20,25-trimethoxy-15,30-dimethyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-3(36),4,6,9,11,18,20,22(33),24,26,31,34-dodecaen-21-ol
|
608.70
|
6.3
|
1
|
8
|
72.86
|
3
|
|
|
Tamarixinin B
|
1873.30
|
4.7
|
28
|
52
|
866.36
|
6
|
|
|
coumaroyl(-1)[coumaroyl(-3)][coumaroyl(-6)]Fruf(b2-1a)Gal
|
780.70
|
1.9
|
8
|
17
|
268.43
|
17
|
|
|
Camelliatannin F
|
1026.80
|
1
|
15
|
26
|
444.18
|
2
|
|
|
Rugosin A
|
1106.80
|
2.7
|
18
|
31
|
531.17
|
12
|
|
|
[(10R,11S,12R,13R,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-[[(10S,11S,12R,13S,15R)-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
|
|
|
Acutissimin A
|
1206.90
|
3
|
20
|
31
|
545.33
|
2
|
|
|
Camelliatannin H
|
1567.10
|
2.2
|
25
|
43
|
734.61
|
8
|
|
|
45-(3,4-Dihydroxyphenyl)-7,8,9,12,13,14,25,26,27,30,31,32,35,41,44-pentadecahydroxy-3,18,21,38,46,51,54-heptaoxadodecacyclo[27.21.3.334,50.02,20.05,10.011,16.023,28.033,53.037,49.039,48.042,47.037,56]hexapentaconta-5,7,9,11,13,15,23,25,27,29(53),30,32,34,39(48),40,42(47)-hexadecaene-4,17,22,36,52,55-hexone
|
1176.90
|
1.9
|
17
|
30
|
510.94
|
1
|
|
|
Strictosidine
|
530.60
|
0.6
|
6
|
10
|
162.73
|
8
|
|
|
Forapin
|
2846.50
|
-2.7
|
41
|
37
|
1152.34
|
99
|
|
|
2-Methylthio-N-6-isopentenyladenosine
|
381.50
|
2
|
4
|
9
|
150.85
|
6
|
|
|
(1S,9S)-9-[2-[(E)-2-[(2S)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-5-hydroxyphenyl]-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaene-4,6,12-triol
|
906.90
|
9.8
|
10
|
12
|
220.76
|
7
|
|
|
5-[(2R,3R)-6-[(2R,3R)-5-[(E)-2-[(2R,3R)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzouran-4-yl]ethenyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzouran-3-yl]-4-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzouran-3-yl]benzene-1,3-diol
|
906.90
|
10
|
9
|
12
|
209.76
|
8
|
|
|
[(10R,11S,12R,13R,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] 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
|
1086.70
|
2.3
|
16
|
30
|
507.76
|
8
|
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