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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Isohelianol
|
428.70
|
9.7
|
1
|
1
|
20.23
|
7
|
|
|
[(4S,4aS,5R,6S,8aR,9aR)-3,4a,5-trimethyl-4-[(Z)-2-methylbut-2-enoyl]oxy-2-oxo-4,5,6,7,8,8a,9,9a-octahydrobenzo[f][1]benzofuran-6-yl] (Z)-2-methylbut-2-enoate
|
430.50
|
4.6
|
0
|
6
|
78.9
|
6
|
|
|
Isoschisandrin
|
432.50
|
4
|
1
|
7
|
75.61
|
6
|
|
|
2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxychromen-4-one
|
434.30
|
-0.2
|
7
|
11
|
190.28
|
3
|
|
|
(3S,4aR,6aS,6bS,8aS,11R,12aR,14bS)-11-(hydroxymethyl)-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13-dodecahydropicen-3-ol
|
440.70
|
7
|
2
|
2
|
40.46
|
1
|
|
|
(3S,3aS,7S,8S,8aS)-3-(2-hydroxypropan-2-yl)-8a-methyl-8-[(E)-2-(3-methylbut-2-enoyloxy)ethenyl]-6-oxo-7-(2-oxopropyl)-1,2,3,3a,7,8-hexahydroazulene-5-carboxylic acid
|
446.50
|
3.6
|
2
|
7
|
117.97
|
8
|
|
|
Cycloartomunin
|
448.50
|
5.2
|
2
|
7
|
98.36
|
2
|
|
|
Sinensin
|
450.40
|
0
|
7
|
11
|
186.37
|
4
|
|
|
(2R)-2,6-dihydroxy-2-[(4-hydroxyphenyl)methyl]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzofuran-3-one
|
450.40
|
-0.2
|
7
|
11
|
186.37
|
5
|
|
|
(3S,7R,11S,15R)-3,11-bis(2-amino-4,5-dihydro-1H-imidazol-5-yl)-7,15-dimethyl-1,9-dioxacyclohexadecane-2,10-dione
|
450.60
|
0.8
|
4
|
6
|
153.42
|
2
|
|
|
Cinchonain Ib
|
452.40
|
2.2
|
6
|
9
|
156.91
|
2
|
|
|
Suberic acid
|
174.19
|
1
|
2
|
4
|
74.6
|
7
|
|
|
3-O-MethylduchesideA
|
462.40
|
0
|
4
|
12
|
178.26
|
4
|
|
|
Valerosidate
|
462.50
|
-1.7
|
6
|
11
|
175.37
|
8
|
|
|
CID 10457053
|
462.50
|
1.2
|
1
|
9
|
124.8
|
6
|
|
|
Garciniaxanthone E
|
464.50
|
7.8
|
4
|
6
|
111.13
|
7
|
|
|
[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
|
474.40
|
-2.4
|
8
|
13
|
215.83
|
8
|
|
|
Caesalamin C
|
474.50
|
2.9
|
1
|
8
|
112.27
|
6
|
|
|
5-hydroxy-6-methoxy-3-(4-methoxyphenyl)-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
476.40
|
1.2
|
5
|
11
|
168.28
|
6
|
|
|
Kanokoside A
|
476.50
|
-2.7
|
6
|
12
|
187.9
|
9
|
|
|
(2S)-5-hydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
|
476.50
|
1.6
|
5
|
10
|
155.14
|
5
|
|
|
(3S,3aR,6R,6aR)-6-methoxy-3,6-bis(3,4,5-trimethoxyphenyl)-3,3a,4,6a-tetrahydro-1H-furo[3,4-c]furan
|
476.50
|
2.7
|
0
|
9
|
83.07
|
9
|
|
|
marchantin A trimethyl ether
|
482.60
|
7.4
|
0
|
5
|
46.15
|
3
|
|
|
Tridecanedioic acid
|
244.33
|
3.7
|
2
|
4
|
74.6
|
12
|
|
|
N-Tigloylbuxahyrcanine
|
484.80
|
6.1
|
2
|
3
|
52.57
|
4
|
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