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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Acetylexidonin
|
490.50
|
2.7
|
0
|
9
|
122.27
|
7
|
|
|
2-[(13S)-13,17,18-trihydroxy-2,10,14-trioxo-5,21-bis[(3,4,5-trihydroxybenzoyl)oxy]-7-[(3,4,5-trihydroxybenzoyl)oxymethyl]-3,6,9,15-tetraoxatetracyclo[10.7.1.14,8.016,20]henicosa-1(19),16(20),17-trien-11-yl]acetic acid
|
956.70
|
0.7
|
13
|
27
|
447.09
|
12
|
|
|
2-[(31S)-13,14,15,18,19,20,31,35,36-nonahydroxy-2,10,23,28,32-pentaoxo-5-(3,4,5-trihydroxybenzoyl)oxy-3,6,9,24,27,33-hexaoxaheptacyclo[28.7.1.04,25.07,26.011,16.017,22.034,38]octatriaconta-1(37),11,13,15,17,19,21,34(38),35-nonaen-29-yl]acetic acid
|
954.70
|
0.4
|
13
|
27
|
447.09
|
5
|
|
|
2-[(4R,5S,7R,8S,13S,21S)-13,17,18,21-tetrahydroxy-7-(hydroxymethyl)-2,10,14-trioxo-5-(3,4,5-trihydroxybenzoyl)oxy-3,6,9,15-tetraoxatetracyclo[10.7.1.14,8.016,20]henicosa-1(19),16(20),17-trien-11-yl]acetic acid
|
652.50
|
-1.7
|
9
|
19
|
313.57
|
6
|
|
|
Eucalyptolic acid
|
648.90
|
8.8
|
3
|
7
|
113.29
|
6
|
|
|
Platycoside K
|
845.00
|
0.3
|
12
|
17
|
296.75
|
9
|
|
|
(1S,2S,3R,5S,8S,10S,11R,15S)-3,9,10,15-tetrahydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one
|
364.40
|
-0.1
|
4
|
6
|
107.22
|
0
|
|
|
(1R,2S,5S,8R,14S,15R,19S)-13,14,19-trihydroxy-16,16-dimethyl-6-methylidene-10,12-dioxahexacyclo[9.8.0.01,15.02,8.05,9.08,13]nonadecan-7-one
|
362.40
|
0.6
|
3
|
6
|
96.22
|
0
|
|
|
15,16-Dihydrotanshindiol C
|
314.30
|
0.7
|
2
|
5
|
83.83
|
0
|
|
|
15,16-Dihydrotanshindiol B
|
314.30
|
0.7
|
2
|
5
|
83.83
|
0
|
|
|
(2R,10S)-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
|
234.34
|
1.4
|
1
|
2
|
32.34
|
2
|
|
|
15-epi-Danshenol A
|
336.40
|
3
|
1
|
4
|
63.6
|
2
|
|
|
Epidanshenspiroketallactone
|
268.31
|
3.7
|
0
|
3
|
35.53
|
0
|
|
|
[(1S,3R,15R,18S,19R,20R,21S,22S,24R,25R,26S)-20,22,25-triacetyloxy-21-(acetyloxymethyl)-15,26-dihydroxy-3,15,26-trimethyl-6,16,23-trioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-19-yl] benzoate
|
839.80
|
0.8
|
2
|
19
|
263.75
|
12
|
|
|
(E)-4-[(2S,13S)-7-[(2E)-3,7-dimethylocta-2,6-dienyl]-6,8-dihydroxy-17,17-dimethyl-5-(3-methylbut-2-enyl)-10,14-dioxo-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4,6,8,11-tetraen-15-yl]-2-methylbut-2-enal
|
614.80
|
7.8
|
2
|
7
|
110.13
|
10
|
|
|
Petunidin-3-O-galactoside chloride
|
514.90
|
|
8
|
12
|
200.83
|
5
|
|
|
(2R,3S)-2-(2,4-Dihydroxyphenyl)-3,7-dihydroxy-5-methoxy-8-((R)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl)chroman-4-one
|
454.50
|
5
|
4
|
7
|
116.45
|
7
|
|
|
Hispidulin 7-O-neohesperidoside
|
608.50
|
-0.8
|
8
|
15
|
238.2
|
7
|
|
|
soyasaponin Ab
|
1437.50
|
-0.7
|
14
|
33
|
497.79
|
23
|
|
|
Ginsenoside RG4
|
767.00
|
4.5
|
8
|
12
|
198.76
|
8
|
|
|
(1R,7S,9R,10S,13S,15S)-15-hydroxy-7-[(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-3-(3-methylbutanoyloxy)-4,5-disulfooxyoxan-2-yl]oxy-9-methyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5,5-dicarboxylic acid
|
770.80
|
0.8
|
6
|
18
|
303.78
|
13
|
|
|
Kaempferol 3-sophoroside-7-rhamnoside
|
756.70
|
-2.2
|
12
|
20
|
328.35
|
9
|
|
|
(2S,3R,4S,4aR,6aR,6bR,8aS,12aS,14aR,14bR)-8a-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5S,6S)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-5-[(2R,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyl-5-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxycarbonyl-2-hydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
|
1589.70
|
-1.9
|
17
|
36
|
542.8
|
24
|
|
|
[(9S,10R)-10-hydroxy-4,5,14,15,16-pentamethoxy-9,10-dimethyl-3-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl] (Z)-2-methylbut-2-enoate
|
500.60
|
5
|
1
|
8
|
92.68
|
8
|
|
|
(2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5R,6S)-4,5-dihydroxy-6-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(1S,2S,4S,8S,9S,12S,13R,16S)-7,9,13-trimethyl-6-[(3S)-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]icosa-6,18-dien-16-yl]oxy]oxan-3-yl]oxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
1177.30
|
-2.1
|
14
|
25
|
384.75
|
16
|
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