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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
28-Hydroxy-24-methoxy-10-[(4-methoxyphenyl)methyl]-4,7,9,13,15,29-hexamethyl-22-oxa-3,6,9,12,15,29-hexazatetracyclo[14.12.2.218,21.123,27]tritriaconta-18,20,23,25,27(31),32-hexaene-2,5,8,11,14,30-hexone
|
786.90
|
2.2
|
4
|
10
|
196.15
|
4
|
|
|
(1S,4R,7S,10S,13S,16S,28S)-28-hydroxy-24-methoxy-10-[(4-methoxyphenyl)methyl]-4,7,9,13,15,29-hexamethyl-22-oxa-3,6,9,12,15,29-hexazatetracyclo[14.12.2.218,21.123,27]tritriaconta-18,20,23,25,27(31),32-hexaene-2,5,8,11,14,30-hexone
|
786.90
|
2.2
|
4
|
10
|
196.15
|
4
|
|
|
4,8-Dimethylnon-7-enoic acid
|
184.27
|
3.4
|
1
|
2
|
37.3
|
6
|
|
|
Tsibulin 2
|
182.26
|
2.7
|
0
|
2
|
34.14
|
5
|
|
|
1-(3-Hydroxy-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-9-yl)propan-2-one
|
244.29
|
0.1
|
1
|
3
|
52.9
|
2
|
|
|
Dimethyl 4-O-methylhexopyranosiduronate
|
236.22
|
-1.5
|
2
|
7
|
94.45
|
4
|
|
|
Diosgenin 3-[glucosyl-(1->6)-glucosyl-(1->4)-rhamnosyl-(1->4)[rhamnosyl-(1->2)]-glucoside]
|
1193.30
|
-2.4
|
14
|
26
|
393.98
|
13
|
|
|
Diosgenin 3-[glucosyl-(1->4)-[glucopyranosyl-(1->6)]-glucopyranosyl-(1->4)-rhamnosyl-(1->4)-[rhamnosyl-(1->2)]-glucoside]
|
1355.50
|
-4
|
17
|
31
|
473.13
|
16
|
|
|
7-Hydroxy-2',4',5'-trimethoxyisoflavan
|
316.30
|
3.2
|
1
|
5
|
57.15
|
4
|
|
|
4-Hydroxy-3-(3-methylbut-3-en-1-ynyl)benzoic acid
|
202.21
|
2.9
|
2
|
3
|
57.53
|
3
|
|
|
Ethyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
|
224.25
|
3.1
|
2
|
4
|
66.76
|
3
|
|
|
15-Methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-16-ol
|
325.40
|
2.9
|
1
|
5
|
51.16
|
1
|
|
|
(12S)-18,19-dimethoxy-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaene
|
325.40
|
2.8
|
1
|
5
|
48.95
|
2
|
|
|
[(2S,3R,4aS,4bR,6aS,7S,10aS,10bR,12S,12aR)-2-acetyl-12-acetyloxy-7-ethyl-4b,7,10a,12a-tetramethyl-1,2,3,4,4a,5,6,6a,8,9,10,10b,11,12-tetradecahydrochrysen-3-yl] acetate
|
488.70
|
7.2
|
0
|
5
|
69.67
|
6
|
|
|
[(1S,4aS,4bR,6S,6aR,10aS,10bR,12aS)-8-acetyl-1-ethyl-1,4a,6a,10b-tetramethyl-2,3,4,4b,5,6,7,10,10a,11,12,12a-dodecahydrochrysen-6-yl] acetate
|
428.60
|
7.6
|
0
|
3
|
43.37
|
4
|
|
|
(2R,4aR,6aR,6aS,6bR,8aR,9S,10S,12aR,14bR)-10-hydroxy-2,9-bis(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-3,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-1H-picen-4-one
|
472.70
|
5.2
|
3
|
4
|
77.76
|
2
|
|
|
Isodonal
|
404.50
|
1.5
|
1
|
7
|
106.97
|
3
|
|
|
(3,9,10-Trihydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-12-yl)methyl acetate
|
406.50
|
0.4
|
3
|
7
|
113.29
|
3
|
|
|
[(1R,2S,3R,5S,8S,9S,10S,11R,12R)-3,9,10-trihydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-12-yl]methyl acetate
|
406.50
|
0.4
|
3
|
7
|
113.29
|
3
|
|
|
[(1R,3R,4R,5R,7S,8S,9R,10E,12S,13S,14S)-4,13-diacetyloxy-9-hydroxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-8-yl] (E)-2-methylbut-2-enoate
|
532.60
|
2.9
|
1
|
9
|
128.73
|
7
|
|
|
[(11S)-5-acetyloxy-12,12-dimethyl-6-propan-2-yl-4-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7-tetraenyl] acetate
|
384.50
|
5.6
|
0
|
4
|
52.6
|
5
|
|
|
3,4,4'-Trihydroxy-5,5'-diisopropyl-2,2'-dimethylbiphenyl
|
314.40
|
5.5
|
3
|
3
|
60.69
|
3
|
|
|
methyl (4R)-4-[(2S,4S)-4-hydroxy-6-methylheptan-2-yl]cyclohexene-1-carboxylate
|
268.39
|
4
|
1
|
3
|
46.53
|
7
|
|
|
methyl (4R)-4-[(2S,4R)-4-hydroxy-6-methylheptan-2-yl]cyclohexene-1-carboxylate
|
268.39
|
4
|
1
|
3
|
46.53
|
7
|
|
|
Juvabiol
|
268.39
|
4
|
1
|
3
|
46.53
|
7
|
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