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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Acetyl daidzin
|
430.40
|
0.7
|
4
|
9
|
138.82
|
5
|
|
|
[(3S,8S,9R,10R,12R,13S,14S,17S)-17-acetyl-8,14,17-trihydroxy-3-[(2R,4S,5R,6R)-5-[(2S,4S,5R,6S)-5-[(2S,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] (E)-3,4-dimethylpent-2-enoate
|
923.10
|
3.7
|
4
|
16
|
207.36
|
14
|
|
|
(2S)-2-amino-3-butylsulfinylpropanoic acid
|
193.27
|
-3.1
|
2
|
5
|
99.6
|
6
|
|
|
(3S)-5,7-dihydroxy-3-[(4-methoxyphenyl)methyl]-6,8-dimethyl-2,3-dihydrochromen-4-one
|
328.40
|
3.9
|
2
|
5
|
75.99
|
3
|
|
|
(+)-(3r)-8,2',3'-Trihydroxy-7,4'-dimethoxyisoflavan
|
318.32
|
2.6
|
3
|
6
|
88.38
|
3
|
|
|
cyclo[Gln-Pro-Pro-Tyr-Val-Pro-Gly]
|
738.80
|
-0.2
|
6
|
9
|
240.65
|
6
|
|
|
[(2S)-1-hexadecanoyloxy-3-[(2R,3R,4S,5R,6R)-6-[[(2S,3R,4S,5S,6R)-4-hexadecanoyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxypropan-2-yl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
|
1153.60
|
17
|
6
|
16
|
237.2
|
55
|
|
|
[(2S,3R,4S,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-[(2S)-3-hexadecanoyloxy-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] (9Z,12Z)-octadeca-9,12-dienoate
|
1177.60
|
16.4
|
6
|
16
|
237.2
|
55
|
|
|
[(2S)-1-hexadecanoyloxy-3-[(2R,3R,4S,5R,6R)-6-[[(2S,3R,4S,5S,6R)-4-hexadecanoyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxypropan-2-yl] (9Z,12Z)-octadeca-9,12-dienoate
|
1155.60
|
17.7
|
6
|
16
|
237.2
|
56
|
|
|
[(2S,3R,4S,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-[(2S)-3-hexadecanoyloxy-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
|
1175.60
|
15.8
|
6
|
16
|
237.2
|
54
|
|
|
(3I(2),21I(2))-Aa(2)-Neogammacer-22(30)-ene-3,29-diol
|
442.70
|
8.6
|
2
|
2
|
40.46
|
2
|
|
|
1-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-3-(4-hydroxybenzoyl)oxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-hydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid
|
496.50
|
-0.1
|
6
|
12
|
192.44
|
7
|
|
|
1-[2,4-dihydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-methylbutan-1-one
|
534.50
|
-1.9
|
10
|
14
|
247.06
|
8
|
|
|
(4aS,6S,7S,7aS)-7-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran-6-ol
|
156.22
|
1
|
1
|
2
|
29.46
|
0
|
|
|
[(1S,2S,3aR,4R,4aS,5S,7aR,8R,8aR)-4,8-diacetyloxy-3a-hydroxy-2,4a,7a-trimethyl-5-(2-methylprop-2-enyl)-6-oxo-1,2,3,4,5,7,8,8a-octahydro-s-indacen-1-yl] benzoate
|
526.60
|
4.4
|
1
|
8
|
116.2
|
9
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-5-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-[[(1R,2S,4S,6R,7S,8R,9S,12S,13S,16S)-6-hydroxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-16-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
1199.30
|
-2.5
|
16
|
27
|
425.21
|
17
|
|
|
(2R,3R,4S,5S,6R)-2-[(2R)-4-[(1R,2S,4S,6R,7S,8R,9S,12S,13S,16S)-16-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-methoxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
1229.40
|
-2.4
|
16
|
28
|
434.44
|
19
|
|
|
[(5R,6R,8R,9S,10S,13R,14S,15S,17R)-5-chloro-17-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-6,14-dihydroxy-10,13-dimethyl-1-oxo-4,6,7,8,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-15-yl] acetate
|
549.10
|
3.9
|
2
|
7
|
110.13
|
4
|
|
|
5-(4-Hydroxy-3-methoxyphenyl)furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(8h)-one
|
350.30
|
3.7
|
1
|
6
|
74.22
|
2
|
|
|
(2R,3R,4S,5S,6R)-2-[[(2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-6-[(E)-3-hydroxyprop-1-enyl]-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
520.50
|
0.3
|
6
|
11
|
167.53
|
9
|
|
|
5-[(3S,3aR,6S,6aR)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,3-dimethoxyphenol
|
432.50
|
2.6
|
1
|
8
|
84.84
|
7
|
|
|
5-[(3S,3aR,6S,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,3-dimethoxyphenol
|
386.40
|
2.5
|
1
|
7
|
75.61
|
4
|
|
|
5,7-dihydroxy-6-methoxy-3-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]chromen-4-one
|
654.60
|
-1.3
|
9
|
17
|
267.66
|
9
|
|
|
5-hydroxy-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]chromen-4-one
|
786.70
|
-3.1
|
12
|
21
|
337.58
|
11
|
|
|
Rabdosin A
|
376.40
|
2
|
1
|
6
|
82.06
|
1
|
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