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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1R,12S,14S)-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9-triene-9,14-diol
|
275.34
|
1.6
|
2
|
4
|
52.93
|
0
|
|
|
[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (1S,2R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate
|
943.10
|
0.8
|
11
|
18
|
294.98
|
9
|
|
|
[(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] (1S,2R,4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate
|
813.00
|
1.7
|
10
|
15
|
256.29
|
8
|
|
|
[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (1S,2R,4aS,6aR,6aS,6bR,8aR,9S,10R,11R,12aR,14bS)-10,11-dihydroxy-1,2,6a,6b,9,12a-hexamethyl-9-(2-oxoethyl)-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate
|
971.10
|
-0.3
|
11
|
19
|
312.05
|
11
|
|
|
rubriflorin B
|
416.50
|
4.2
|
1
|
7
|
83.45
|
5
|
|
|
Isolariciresinol 4-O-|A-D-glucopyranoside
|
522.50
|
0.2
|
7
|
11
|
178.53
|
8
|
|
|
6,7,21-Trihydroxy-17,17,20-trimethyl-8-(3-methylbut-2-enyl)-10,12,18-trioxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),3(11),4,6,8,14(19),15,20-octaen-2-one
|
448.50
|
6.4
|
3
|
7
|
113.27
|
2
|
|
|
(21R,22S)-11,17,21,22-tetrahydroxy-7,7,10,20,20-pentamethyl-2,8,19,25-tetraoxahexacyclo[12.11.0.03,12.04,9.015,24.018,23]pentacosa-1(14),3(12),4(9),5,10,15,17,23-octaen-13-one
|
480.50
|
3.7
|
4
|
9
|
142.73
|
0
|
|
|
(3R)-3-(3,5-dihydroxy-4-methoxyphenyl)-3-[(3R)-3-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-8,8-dimethyl-4-oxo-2H-pyrano[2,3-h]chromen-3-yl]-5-hydroxy-8,8-dimethyl-2H-pyrano[2,3-h]chromen-4-one
|
766.70
|
6.3
|
6
|
14
|
210.9
|
5
|
|
|
10,13-deacetyl-abeo-baccatin IV
|
568.60
|
-0.9
|
3
|
12
|
175.12
|
9
|
|
|
[(1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (E)-3-phenylprop-2-enoate
|
570.90
|
13
|
0
|
2
|
26.3
|
9
|
|
|
2-[4-[2,3-Dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propoxy]-3-methoxyphenyl]-5,7-dihydroxychromen-4-one
|
496.50
|
1.9
|
5
|
10
|
159.05
|
8
|
|
|
[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,10R,11S,12aR,14bS)-5,11-dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,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]oxymethyl]oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1285.40
|
-5.3
|
19
|
30
|
493.74
|
16
|
|
|
Murrayacinine
|
345.40
|
5.7
|
1
|
2
|
42.09
|
4
|
|
|
Retene
|
234.30
|
6.5
|
0
|
0
|
0
|
1
|
|
|
methyl (1S,3R,4R,5R)-1,3,4-trihydroxy-5-[(E)-3-(2-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylate
|
352.30
|
0.3
|
4
|
8
|
133.52
|
6
|
|
|
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(5R,8R,9R,10R,12S,13R,14S,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
947.20
|
2.4
|
12
|
18
|
298.14
|
13
|
|
|
cyclo[Ile-Met-Leu-Val-Phe-Pro-Leu-Phe]
|
961.30
|
7
|
7
|
9
|
249.31
|
14
|
|
|
cyclo[Leu-Met-Pro-Phe-Phe-Trp-Val-Met]
|
1052.40
|
6.7
|
8
|
10
|
290.4
|
15
|
|
|
cyclo[Ile-Met-Leu-Met-Pro-Phe-Phe-Trp]
|
1066.40
|
7.1
|
8
|
10
|
290.4
|
16
|
|
|
5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methyl-1-oxidopiperidin-1-ium-4-yl]-2-methylchromen-4-one
|
321.32
|
0.8
|
3
|
6
|
113.96
|
1
|
|
|
Pandamarilactone 1
|
317.40
|
2.9
|
0
|
5
|
55.84
|
4
|
|
|
Kaempferol 7-O-rutinoside
|
594.50
|
-0.9
|
9
|
15
|
249.2
|
6
|
|
|
(1R)-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2,2-dimethyl-1H-isoquinolin-2-ium-7-ol
|
312.40
|
3.2
|
2
|
3
|
49.69
|
3
|
|
|
(6aS)-1,11-dihydroxy-2,10-dimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-4-one
|
356.40
|
2.3
|
2
|
5
|
75.99
|
2
|
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