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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2R)-8,10-dihydroxy-2,5-dimethyl-2,3-dihydrobenzo[h]chromen-4-one
|
258.27
|
2.7
|
2
|
4
|
66.76
|
0
|
|
|
(1R,2S,6S,11S,14S,15R,18R,20S)-20-hydroxy-8,8,14,15,19,19-hexamethyl-3-oxo-21-oxahexacyclo[18.2.2.01,18.02,15.05,14.06,11]tetracos-4-ene-11-carboxylic acid
|
484.70
|
5.4
|
2
|
5
|
83.83
|
1
|
|
|
(1R,2S,6S,7S,8R,11S,14S,15R,18R,20S)-20-hydroxy-7,8,14,15,19,19-hexamethyl-3-oxo-21-oxahexacyclo[18.2.2.01,18.02,15.05,14.06,11]tetracos-4-ene-11-carboxylic acid
|
484.70
|
5.3
|
2
|
5
|
83.83
|
1
|
|
|
[(3S,4aR,6aR,6bS,8aR,12aR,14aR,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl] (E)-3-(3,5-dihydroxyphenyl)prop-2-enoate
|
602.80
|
10
|
2
|
5
|
83.83
|
4
|
|
|
(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,16S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
740.90
|
2.8
|
7
|
13
|
196.99
|
6
|
|
|
Artochamin C
|
352.30
|
3.6
|
3
|
6
|
100.13
|
1
|
|
|
(2R,11R)-9-methoxy-17,17-dimethyl-4,12,18-trioxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),5(10),6,8,14(19),15,20-heptaen-7-ol
|
352.40
|
3.5
|
1
|
5
|
57.15
|
1
|
|
|
cis-Moschamine
|
352.40
|
3
|
4
|
4
|
94.58
|
6
|
|
|
(6R,8S)-5,6-dimethoxy-2,2-dimethyl-8-phenyl-7,8-dihydro-6H-pyrano[3,2-g]chromene
|
352.40
|
4.1
|
0
|
4
|
36.92
|
3
|
|
|
methyl 2-[(1R,2R,3R,6S,7S,8R,12R,13R,17R,18R,19R,20S)-17,18-diacetyloxy-19-[(S)-acetyloxy(furan-3-yl)methyl]-10-ethyl-3,6,7-trihydroxy-2,5,19-trimethyl-15-oxo-9,14,16-trioxahexacyclo[10.4.3.12,5.01,13.03,7.08,13]icos-10-en-20-yl]acetate
|
732.70
|
1
|
3
|
16
|
223.79
|
12
|
|
|
methyl 2-[(1R,5R,6S,7S,9S,10S,11R,12R,13R,14R,15R,21S,25S)-21-acetyl-6,7,13,15-tetraacetyloxy-10-(acetyloxymethyl)-12-hydroxy-3,8,14-trimethyl-22-oxo-2,4,19,23,26-pentaoxanonacyclo[12.10.1.13,11.15,8.01,11.05,10.06,24.016,20.021,25]heptacosa-16(20),17-dien-9-yl]acetate
|
858.80
|
-0.7
|
1
|
20
|
262.23
|
15
|
|
|
Zingiberen newsaponin
|
1047.20
|
-0.8
|
12
|
22
|
335.06
|
11
|
|
|
(Z)-3-(4-hydroxy-3-methoxyphenyl)-N-[4-[[(Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]butyl]prop-2-enamide
|
440.50
|
3
|
4
|
6
|
117.12
|
11
|
|
|
(Z)-3-(4-hydroxy-3-methoxyphenyl)-N-[4-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]butyl]prop-2-enamide
|
440.50
|
3
|
4
|
6
|
117.12
|
11
|
|
|
cyclo[Ala-Glu(Ph(2-NH2))(Ph(2-NH2))-Thr-Pro-Gly-Leu-Asn]
|
757.80
|
-1
|
9
|
11
|
301.32
|
9
|
|
|
Piperitol
|
356.40
|
2.5
|
1
|
6
|
66.38
|
3
|
|
|
(3S,3aS,9aS,9bS)-3,6-dimethyl-9-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione
|
570.60
|
-2.9
|
6
|
13
|
201.67
|
6
|
|
|
(3S,3aS,9aS,9bS)-9-[[(2R,3R,4S,5S,6R)-6-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-3,6-dimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione
|
586.60
|
-3.1
|
7
|
14
|
221.9
|
8
|
|
|
Cichorioside F
|
440.40
|
-1.9
|
5
|
10
|
162.98
|
5
|
|
|
Cichorioside G
|
440.40
|
-2.2
|
5
|
10
|
162.98
|
4
|
|
|
Cichorioside H
|
440.40
|
-2.3
|
5
|
10
|
162.98
|
4
|
|
|
(1S,3aS,8aS,9R,9aS)-9-hydroxy-1,5-dimethyl-8-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1,3a,4,8a,9,9a-hexahydroazuleno[6,5-b]furan-2,6-dione
|
440.40
|
-2.2
|
5
|
10
|
162.98
|
4
|
|
|
(3S,3aR,4S,6S,7R,7aR)-6-ethenyl-4-hydroxy-3,6-dimethyl-7-[(E)-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyprop-1-en-2-yl]-3,3a,4,5,7,7a-hexahydro-1-benzofuran-2-one
|
428.50
|
0.7
|
5
|
9
|
145.91
|
5
|
|
|
Glc(b1-2)Glc(b)-O-Ph(4-OH)
|
434.40
|
-2.3
|
8
|
12
|
198.76
|
6
|
|
|
(1R,3S,4S,5R)-3-[(E)-4-(3,4-dihydroxyphenyl)-2-oxobut-3-enyl]-1,4,5-trihydroxycyclohexane-1-carboxylic acid
|
352.30
|
-0.5
|
6
|
8
|
155.52
|
5
|
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