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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(3S,4R,4aS,6aS,6bS,8aR,12aR,14aS,14bR)-4,4a,6a,6b,8a,11,11,14a-octamethyl-1,2,3,4,5,7,8,9,10,12,12a,13,14,14b-tetradecahydropicen-3-ol
|
426.70
|
9.3
|
1
|
1
|
20.23
|
0
|
|
|
7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-6-methoxychromen-4-one
|
608.50
|
-0.3
|
8
|
15
|
238.2
|
7
|
|
|
(2S,3R,4aS,5S,7R,8R,8aR)-7-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-2-(carboxymethoxy)-3,8-dihydroxy-2,4a,5,7,8,8a-hexahydropyrano[3,4-b][1,4]dioxine-3,5-dicarboxylic acid
|
792.90
|
4.9
|
6
|
15
|
235.81
|
8
|
|
|
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-4,5-dihydroxy-2-phenylmethoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
564.50
|
-3.9
|
9
|
15
|
237.45
|
10
|
|
|
(2S,3R,4aS,5S,7R,8R,8aR)-7-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-2-(carboxymethoxy)-3,8-dihydroxy-2,4a,5,7,8,8a-hexahydropyrano[3,4-b][1,4]dioxine-3,5-dicarboxylic acid
|
955.00
|
3.1
|
9
|
20
|
314.96
|
11
|
|
|
galactopinitol B
|
356.32
|
-4.8
|
8
|
11
|
189.53
|
4
|
|
|
Apigenin 7-apiosyl-glucoside
|
564.50
|
-0.9
|
8
|
14
|
228.97
|
7
|
|
|
2-Methyl-5-(6-methylhept-5-en-2-yl)cyclohex-2-en-1-one
|
220.35
|
4.5
|
0
|
1
|
17.07
|
4
|
|
|
methyl (1S,15R,16S,18S,20R)-18-hydroxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8-tetraene-3-carboxylate
|
370.40
|
2.8
|
1
|
5
|
63.93
|
1
|
|
|
Glucogitaloxin
|
971.10
|
0.5
|
8
|
20
|
288.28
|
12
|
|
|
(1R,2S,6R,8S,9S,10R)-1-hydroxy-9,15,16-trimethoxy-3-methyl-7,11-dioxa-3-azapentacyclo[8.8.0.02,6.06,8.013,18]octadeca-13,15,17-trien-12-one
|
377.40
|
0
|
1
|
8
|
89.99
|
3
|
|
|
(1R,2S,6R,8S,9S,10R)-1,15-dihydroxy-9,16-dimethoxy-3-methyl-7,11-dioxa-3-azapentacyclo[8.8.0.02,6.06,8.013,18]octadeca-13,15,17-trien-12-one
|
363.40
|
-0.3
|
2
|
8
|
100.99
|
2
|
|
|
(1S,2S,6R,8S,9R,10S)-9,15,16-trimethoxy-3-methyl-7,11-dioxa-3-azapentacyclo[8.8.0.02,6.06,8.013,18]octadeca-13,15,17-trien-12-one
|
361.40
|
1.1
|
0
|
7
|
69.76
|
3
|
|
|
3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoic acid
|
328.31
|
-0.1
|
5
|
8
|
136.68
|
6
|
|
|
3-Hydroxy-2,4,7-trimethoxydibenzofuran
|
274.27
|
3.2
|
1
|
5
|
61.06
|
3
|
|
|
(1S,2S,6R,8S,9R,10S)-15-hydroxy-9,16-dimethoxy-3-methyl-7,11-dioxa-3-azapentacyclo[8.8.0.02,6.06,8.013,18]octadeca-13,15,17-trien-12-one
|
347.40
|
0.8
|
1
|
7
|
80.76
|
2
|
|
|
(1'R,3R,3'S,4'R,5'R,7'R)-5'-hydroxy-4',5,6-trimethoxy-8'-methylspiro[2-benzofuran-3,6'-2-oxa-8-azatricyclo[5.3.0.01,3]decane]-1-one
|
377.40
|
0
|
1
|
8
|
89.99
|
3
|
|
|
(2E)-2-[(2R,3S,4S)-4-hydroxy-3-(hydroxymethyl)-2-(3-hydroxypropyl)-4-methyl-3-[(3E,5E)-4-methyl-6-[(1R,5R)-2,5,6,6-tetramethylcyclohex-2-en-1-yl]hexa-3,5-dienyl]cyclohexylidene]propanal
|
486.70
|
5.6
|
3
|
4
|
77.76
|
10
|
|
|
methyl (1R,2S,10S,15E,17R,18R)-15-ethylidene-7-[(1S,12S,14S,15E,18S)-15-ethylidene-18-(hydroxymethyl)-18-methoxycarbonyl-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl]-18-hydroxy-3-methyl-19-oxa-3,13-diazahexacyclo[14.3.1.02,10.02,13.04,9.010,17]icosa-4(9),5,7-triene-17-carboxylate
|
748.90
|
3.6
|
3
|
10
|
127.8
|
6
|
|
|
methyl (1S,12S,14S,15Z,18S)-12-[3-(2-aminoethyl)-1H-indol-6-yl]-15-ethylidene-18-(hydroxymethyl)-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate
|
526.70
|
3.1
|
4
|
5
|
107.37
|
6
|
|
|
(1S,4S)-7-hydroxy-1,6-dimethyl-4-propan-2-yl-3,4-dihydro-1H-naphthalen-2-one
|
232.32
|
3.3
|
1
|
2
|
37.3
|
1
|
|
|
rel-(1R,4S)-3,4-Dihydro-7-hydroxy-1,6-dimethyl-4-(1-methylethyl)-2(1H)-naphthalenone
|
232.32
|
3.3
|
1
|
2
|
37.3
|
1
|
|
|
(1S,2S)-1-(3-Methoxy-4-hydroxyphenyl)-2-[2-methoxy-4-[(E)-3-hydroxy-1-propenyl]phenoxy]-1,3-propanediol
|
376.40
|
1.5
|
4
|
7
|
108.61
|
9
|
|
|
1,4-Cyclohexadiene-1-acetic acid, 3-I(2)-D-glucopyranosyl-I+/--(3-I(2)-D-glucopyranosyl-2,3,6-trihydroxy-5-[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-4-oxo-1,5-cyclohexadien-1-yl)-2,3,4-trihydroxy-5-[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-6-oxo-
|
956.80
|
-2.8
|
17
|
24
|
447.72
|
11
|
|
|
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1R,2R,4S,5R,6S,10S)-5-hydroxy-2-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]oxane-3,4,5-triol
|
524.50
|
-4.8
|
9
|
15
|
240.75
|
6
|
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