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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
CID 10837661
|
460.50
|
1.5
|
3
|
9
|
195.59
|
0
|
|
|
2,3-Secoporrigenin
|
460.60
|
4.7
|
1
|
6
|
82.06
|
2
|
|
|
3'-Dehydroxynyasicoside
|
462.40
|
0.1
|
8
|
10
|
180.3
|
7
|
|
|
(4S,4aS,5R,6S,8aR,9aR)-2,4,4a,5,6,7,8,8a,9,9a-Decahydro-3,4a,5-trimethyl-6-[[(2E)-3-[(R)-methylsulfinyl]-1-oxo-2-propen-1-yl]oxy]-2-oxonaphtho[2,3-b]furan-4-yl (2Z)-2-methyl-2-butenoate
|
464.60
|
2.7
|
0
|
8
|
115.18
|
7
|
|
|
[(1R,2S,3R,4R,6S,8S,9R,10R,13R,14R,16R)-2-acetyloxy-3,4,6,9,14-pentahydroxy-5,5,9,14-tetramethyl-16-tetracyclo[11.2.1.01,10.04,8]hexadecanyl] propanoate
|
484.60
|
0.9
|
5
|
9
|
153.75
|
5
|
|
|
Uncaric acid
|
488.70
|
4.6
|
4
|
5
|
97.99
|
1
|
|
|
3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
492.40
|
0.5
|
6
|
12
|
188.51
|
6
|
|
|
methyl 2-methyl-2-[(1R,5S,6R,9R,10R,13S,14R,16R)-5,9,10-trimethyl-13-[(2Z)-6-methyl-4-oxohepta-2,5-dien-2-yl]-3-oxo-2-oxatetracyclo[7.6.1.05,16.010,14]hexadecan-6-yl]propanoate
|
498.70
|
7.5
|
0
|
5
|
69.67
|
6
|
|
|
Artonol C
|
500.50
|
6
|
3
|
7
|
109.36
|
1
|
|
|
6beta-Hydroxyhovenic acid
|
504.70
|
5.2
|
5
|
6
|
118.22
|
3
|
|
|
[(3S,4aR,6aR,6bS,8aR,12aR,14aR,14bS)-12a-hydroperoxy-4,4,6a,6b,8a,11,11,14b-octamethyl-14-oxo-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl] acetate
|
514.70
|
7.1
|
1
|
5
|
72.83
|
3
|
|
|
Methyl 1-Formyloxyrocaglate
|
520.50
|
3.3
|
1
|
9
|
109.75
|
9
|
|
|
Sinensol F
|
522.60
|
8.2
|
4
|
5
|
90.15
|
7
|
|
|
methyl N-[4-[[(5S,6R)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl]amino]-3-oxobutyl]carbamate
|
525.10
|
-0.3
|
3
|
8
|
135.55
|
8
|
|
|
quadrangularic acid G
|
532.70
|
5.8
|
4
|
7
|
124.29
|
8
|
|
|
[(2R,3S,4R,5R,6S)-3-acetyloxy-6-[4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-2,3-dihydroxyphenoxy]-4,5-dihydroxyoxan-2-yl]methyl acetate
|
534.50
|
1.3
|
6
|
13
|
209.51
|
10
|
|
|
Semperviraminol
|
564.80
|
6.3
|
2
|
5
|
78.87
|
6
|
|
|
methyl (4S,5E,6S)-4-[2-[(2S)-2-(3,4-dihydroxyphenyl)-2-methoxyethoxy]-2-oxoethyl]-5-ethylidene-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
|
570.50
|
-1
|
6
|
14
|
210.9
|
12
|
|
|
[4-Ethenyl-2,2,4-trimethyl-3-(prop-1-en-2-yl)cyclohexyl]methyl acetate
|
264.40
|
5.2
|
0
|
2
|
26.3
|
5
|
|
|
lupulin A
|
582.70
|
2.9
|
1
|
11
|
139.35
|
11
|
|
|
[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
590.90
|
11.6
|
1
|
4
|
55.76
|
11
|
|
|
apigenin-7-O-gentiobioside
|
594.50
|
-1.3
|
9
|
15
|
249.2
|
7
|
|
|
(4S,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,4R,5R,6R)-5-[(2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-one
|
608.70
|
-0.2
|
2
|
14
|
159.06
|
10
|
|
|
(2S,3S)-2-(3,4-dihydroxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-[(E)-3-[2-(4-hydroxyphenyl)ethylamino]-3-oxoprop-1-enyl]-7-methoxy-2,3-dihydro-1-benzofuran-3-carboxamide
|
610.70
|
4.6
|
6
|
8
|
157.58
|
11
|
|
|
(2S)-2-methyl-4-[(2R,6R,13R)-2,6,13-trihydroxy-13-[(2R,5S)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]-8-oxotridecyl]-2H-furan-5-one
|
610.90
|
6.7
|
4
|
8
|
133.52
|
26
|
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