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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(3S,4S,5S,9R,10S,13R,14R,17R)-17-[(2R,5S)-5-ethyl-6-methylhept-6-en-2-yl]-4,10,13-trimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
426.70
|
9.4
|
1
|
1
|
20.23
|
6
|
|
|
1-Hydroxy-3,6,8-trimethoxyxanthen-9-one
|
302.28
|
3.1
|
1
|
6
|
78.13
|
3
|
|
|
1,3,6-trimethoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyxanthen-9-one
|
596.50
|
-1.4
|
6
|
15
|
216.2
|
8
|
|
|
[2-[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxyoxan-3-yl] 3,4,5-trihydroxybenzoate
|
586.50
|
1.6
|
9
|
15
|
257.04
|
6
|
|
|
Irisolone methyl ether
|
326.30
|
2.9
|
0
|
6
|
67.13
|
3
|
|
|
Kuwanol D
|
408.50
|
6.6
|
4
|
5
|
97.99
|
8
|
|
|
Moracin O
|
326.30
|
3.3
|
3
|
5
|
83.06
|
2
|
|
|
Moracin P
|
326.30
|
3.3
|
3
|
5
|
83.06
|
1
|
|
|
5,7-Dihydroxy-2-(4-hydroxyphenyl)-8-methoxy-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one
|
624.50
|
-1
|
9
|
16
|
258.43
|
7
|
|
|
5-Hydroxy-2-(4-hydroxyphenyl)-8-methoxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one
|
786.70
|
-2.8
|
12
|
21
|
337.58
|
10
|
|
|
3'-Hydroxypsilotin
|
368.30
|
-0.3
|
5
|
9
|
145.91
|
4
|
|
|
Norisoboldine
|
313.30
|
2.3
|
3
|
5
|
70.95
|
2
|
|
|
swertiabisxanthone-I
|
518.40
|
3.9
|
8
|
12
|
222.26
|
1
|
|
|
5,13-Dihydroxy-6,7-dimethoxy-2-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),9,11,13-heptaen-3-one
|
312.27
|
3.7
|
2
|
6
|
89.13
|
2
|
|
|
3'-O-methyldiplacone
|
438.50
|
6.1
|
3
|
6
|
96.22
|
7
|
|
|
Icariside B8
|
388.50
|
-1.3
|
5
|
8
|
136.68
|
6
|
|
|
(1S,4aS,7aS)-7-[[(1S,4aS,7aS)-7-[[(1S,4aS,7aS)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carbonyl]oxymethyl]-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carbonyl]oxymethyl]-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
|
1087.00
|
-6.4
|
14
|
28
|
435.96
|
19
|
|
|
(1S,4aS,7aS)-7-[[(1S,4aS,7aS)-7-[[(1S,4aS,7aS)-7-(acetyloxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carbonyl]oxymethyl]-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carbonyl]oxymethyl]-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
|
1129.00
|
-5.9
|
13
|
29
|
442.03
|
21
|
|
|
(1S,4aS,7aS)-7-[[(1S,4aS,7aS)-7-[[(1S,4aS,7aS)-7-[[(1S,4aS,7aS)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carbonyl]oxymethyl]-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carbonyl]oxymethyl]-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carbonyl]oxymethyl]-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
|
1443.30
|
-8.3
|
18
|
37
|
570.87
|
26
|
|
|
(1S,4aS,7aS)-7-[[(1S,4aS,7aS)-7-[[(1S,4aS,7aS)-7-[[(1S,4aS,7aS)-7-(acetyloxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carbonyl]oxymethyl]-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carbonyl]oxymethyl]-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carbonyl]oxymethyl]-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
|
1485.30
|
-7.7
|
17
|
38
|
576.94
|
28
|
|
|
2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,7-diol
|
546.50
|
3.1
|
8
|
10
|
180.3
|
3
|
|
|
8-[3,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol
|
530.50
|
3.4
|
7
|
9
|
160.07
|
3
|
|
|
10-(2,4-Dihydroxyphenyl)-2,8-bis(3,4-dihydroxyphenyl)-2,3,4,8,9,10-hexahydropyrano[2,3-f]chromene-3,9-diol
|
546.50
|
3.1
|
8
|
10
|
180.3
|
3
|
|
|
6-(3,7-Dihydro xychroman-2-yl)-4-(2,4-dihydroxyphenyl)-3,3',4',8-tetrahydro xyflavan
|
546.50
|
3.1
|
8
|
10
|
180.3
|
3
|
|
|
4-[2-(3,7-dihydroxy-3,4-dihydro-2H-chromen-2-yl)-4,5-dihydroxyphenyl]-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol
|
530.50
|
3.4
|
7
|
9
|
160.07
|
3
|
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