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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Azitine
|
299.40
|
2.8
|
1
|
2
|
32.59
|
0
|
|
|
Dihydroimpranine
|
429.70
|
5.8
|
2
|
3
|
43.7
|
2
|
|
|
Agrostemmasaponine 1
|
1407.50
|
-1.9
|
16
|
32
|
502.72
|
18
|
|
|
Rac-(2S,3S)-5-allyl-6-hydroxy-2-(3,4-dimethoxyphenyl)-3-methyl-2,3-dihydrobenzofuran
|
326.40
|
4.4
|
1
|
4
|
47.92
|
5
|
|
|
(2R,3Ar,7S,7aS)-7-hydroxy-2,5,7-trimethyl-3a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[3,7a-dihydro-2H-indene-6,1'-cyclopropane]-1-one
|
398.40
|
-1.3
|
5
|
8
|
136.68
|
3
|
|
|
Ptaquiloside
|
398.40
|
-1.3
|
5
|
8
|
136.68
|
3
|
|
|
1-O-Feruloylglucose
|
356.32
|
-0.3
|
5
|
9
|
145.91
|
6
|
|
|
1-O-feruloyl-beta-D-glucose
|
356.32
|
-0.3
|
5
|
9
|
145.91
|
6
|
|
|
Physalin E
|
544.50
|
-0.8
|
3
|
11
|
165.89
|
0
|
|
|
8-[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(3,4,5-trimethoxyphenyl)-3,4-dihydroisochromen-1-one
|
492.50
|
1.1
|
4
|
11
|
153.37
|
7
|
|
|
(3S)-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(3,4,5-trimethoxyphenyl)-3,4-dihydroisochromen-1-one
|
492.50
|
1.1
|
4
|
11
|
153.37
|
7
|
|
|
3-(4-Hydroxy-3,5-dimethoxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroisochromen-1-one
|
478.40
|
0.8
|
5
|
11
|
164.37
|
6
|
|
|
3-(4-Hydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroisochromen-1-one
|
418.40
|
0.8
|
5
|
9
|
145.91
|
4
|
|
|
hydrangenol 8-O-glucoside
|
418.40
|
0.8
|
5
|
9
|
145.91
|
4
|
|
|
beta-Carotene-5,6,5'6'-diepoxide
|
568.90
|
11.7
|
0
|
2
|
25.06
|
10
|
|
|
Andrographidin A
|
462.40
|
0.7
|
4
|
10
|
144.14
|
6
|
|
|
Andrographidine E
|
490.50
|
0.9
|
4
|
11
|
157.28
|
7
|
|
|
5-Hydroxy-7,8-dimethoxyflavanone
|
300.30
|
3
|
1
|
5
|
64.99
|
3
|
|
|
5,4'-Dihidroxy-7,8,2',3'-tetramethoxyflavone
|
374.30
|
2.9
|
2
|
8
|
107.59
|
5
|
|
|
3'-Hydroxydihydroformononetin
|
286.28
|
2.3
|
2
|
5
|
75.99
|
2
|
|
|
2'-Hydroxyfurano[2'',3'':4',3']chalcone
|
264.27
|
4.3
|
1
|
3
|
50.44
|
3
|
|
|
5,9-Dihydroxy-8-methoxy-7-(3-methoxy-3-methylbutyl)-2,2-dimethyl-3,4-dihydropyrano[3,2-b]xanthen-6-one
|
442.50
|
4.8
|
2
|
7
|
98.36
|
5
|
|
|
BR-xanthone A
|
396.40
|
4.8
|
2
|
6
|
89.13
|
0
|
|
|
5,6,7-Trimethoxyphenanthrene-2,10-diol
|
300.30
|
3.6
|
2
|
5
|
68.15
|
3
|
|
|
(6E,8E)-hexadeca-1,6,8-trien-10,12,14-triyne
|
208.30
|
5
|
0
|
0
|
0
|
7
|
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