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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(6S)-2,2,6-trimethyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]oxan-4-one
|
236.35
|
2.1
|
0
|
2
|
26.3
|
1
|
|
|
1-[(1S,2R,3R,4S)-2,3-dimethyl-4-(2,4,5-trimethoxyphenyl)cyclobutyl]-2,4,5-trimethoxybenzene
|
416.50
|
4.9
|
0
|
6
|
55.38
|
8
|
|
|
[(1R,2S,5R,6S)-6-acetyloxy-5-benzoyloxy-1-hydroxy-2-methoxycyclohex-3-en-1-yl]methyl benzoate
|
440.40
|
2.6
|
1
|
8
|
108.36
|
10
|
|
|
[(1R,2S,5R,6S)-6-acetyloxy-2,5-dibenzoyloxy-1-hydroxycyclohex-3-en-1-yl]methyl benzoate
|
530.50
|
4.3
|
1
|
9
|
125.43
|
12
|
|
|
[(1R,5S,6R)-6-benzoyloxy-1,5-dihydroxy-2-oxocyclohex-3-en-1-yl]methyl benzoate
|
382.40
|
1.9
|
2
|
7
|
110.13
|
7
|
|
|
[(1R,5S,6R)-1,5,6-trihydroxy-2-oxocyclohex-3-en-1-yl]methyl benzoate
|
278.26
|
-0.4
|
3
|
6
|
104.06
|
4
|
|
|
[(1R,4S,5S,6R)-4,6-dihydroxy-8-oxo-2-oxabicyclo[2.2.2]octan-5-yl] benzoate
|
278.26
|
-0.4
|
2
|
6
|
93.06
|
3
|
|
|
Massonianoside D
|
508.50
|
0
|
7
|
11
|
178.53
|
9
|
|
|
(2S,3R,4S,5S,6R)-2-[4-[(2R,3S)-7-hydroxy-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
508.50
|
0
|
7
|
11
|
178.53
|
9
|
|
|
Lauroside D
|
390.50
|
-0.3
|
6
|
8
|
139.84
|
5
|
|
|
[(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
|
832.70
|
0.5
|
11
|
21
|
334.42
|
13
|
|
|
[(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5R,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
|
816.70
|
0.8
|
10
|
20
|
314.19
|
13
|
|
|
(3R)-5,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-3H-2-benzofuran-1-one
|
314.30
|
3.3
|
0
|
5
|
53.99
|
5
|
|
|
(3S)-5,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-3H-2-benzofuran-1-one
|
314.30
|
3.3
|
0
|
5
|
53.99
|
5
|
|
|
1-(4-hydroxy-3,5-dimethoxyphenyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-1-one
|
388.40
|
-1.2
|
5
|
10
|
155.14
|
8
|
|
|
(10S,11S,18S)-18-(2,4-dihydroxyphenyl)-3-(3,5-dihydroxyphenyl)-4,10-bis(4-hydroxyphenyl)-5,9-dioxapentacyclo[9.8.1.02,6.08,20.012,17]icosa-1,6,8(20),12(17),13,15-hexaene-14,16-diol
|
696.70
|
6.8
|
8
|
10
|
180.3
|
4
|
|
|
(2E,4Z)-N-(2-methylpropyl)undeca-2,4-dien-7,9-diynamide
|
229.32
|
3.4
|
1
|
1
|
29.1
|
6
|
|
|
[(2R,3S,4S,5S)-2-[(2R,3S,4S,5S,6R)-6-(acetyloxymethyl)-4-[(2R,3R,4S,5R,6S)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(Z)-3-[4-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]prop-2-enoyl]oxyoxan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)-2-[[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxolan-3-yl] benzoate
|
1293.20
|
-2
|
13
|
32
|
477.56
|
28
|
|
|
[(2R,3S,4S,5S)-2-[(2R,3S,4S,5S,6R)-6-(acetyloxymethyl)-4-[(2R,3R,4S,5R,6S)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-5-[(Z)-3-[3-methoxy-4-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]prop-2-enoyl]oxy-3-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2-[[(Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]-5-(hydroxymethyl)oxolan-3-yl] benzoate
|
1353.20
|
-2.1
|
13
|
34
|
496.02
|
30
|
|
|
[(2R,3S,4S,5S)-2-[(2R,3S,4S,5S,6R)-6-(acetyloxymethyl)-5-[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-3-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)-2-[[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxolan-3-yl] benzoate
|
1251.10
|
1
|
12
|
29
|
438.87
|
28
|
|
|
[(2R,3S,4S,5S)-2-[(2R,3S,4S,5S,6R)-6-(acetyloxymethyl)-5-[(Z)-3-[3-methoxy-4-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]prop-2-enoyl]oxy-3-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)-2-[[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxolan-3-yl] benzoate
|
1427.30
|
-0.3
|
14
|
34
|
507.02
|
31
|
|
|
(2R)-2-[(1S)-1-[(1S,3R,8S,9S,10R,13S,14S,17R)-1-hydroxy-10,13-dimethyl-3-[(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]oxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-4-methyl-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3-dihydropyran-6-one
|
945.00
|
-1.2
|
12
|
20
|
324.44
|
12
|
|
|
(2R)-2-[(1S)-1-[(1S,3R,8S,9S,10R,13S,14S,17R)-1-hydroxy-10,13-dimethyl-3-[(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]oxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-4-methyl-5-[[(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]-2,3-dihydropyran-6-one
|
1107.20
|
-3.3
|
15
|
25
|
403.59
|
15
|
|
|
(2R)-2-[(1S)-1-[(1S,3R,8S,9S,10R,13S,14S,17R)-1-hydroxy-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-4-methyl-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3-dihydropyran-6-one
|
782.90
|
1
|
9
|
15
|
245.29
|
9
|
|
|
(2R)-2-[(1S)-1-[(1S,2S,4S,5R,7S,9S,10S,11S,14R,15R,18S)-5,9-dihydroxy-10,14-dimethyl-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadecan-15-yl]ethyl]-5-(hydroxymethyl)-4-methyl-2,3-dihydropyran-6-one
|
652.80
|
1.6
|
7
|
12
|
198.9
|
6
|
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