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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(1S,6S,7R)-4-[[4,5-dihydroxy-6-(hydroxymethyl)-3-[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxymethyl]-6,7-bis(ethoxycarbonyloxy)-7-hydroxy-1-methyl-4a,5,6,7a-tetrahydrocyclopenta[c]pyran-1-yl] 3-methylbutanoate
|
768.80
|
3.1
|
5
|
18
|
252.5
|
20
|
|
|
[(1S,6S,7R)-6,7-bis(ethoxycarbonyloxy)-7-hydroxy-1-methyl-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4a,5,6,7a-tetrahydrocyclopenta[c]pyran-1-yl] 3-methylbutanoate
|
622.60
|
0.8
|
5
|
16
|
226.2
|
16
|
|
|
(1S,2R,3R,4R,6R)-4-[(2R,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-methylcyclohexane-1,2,3-triol
|
460.50
|
-1.1
|
8
|
11
|
189.53
|
7
|
|
|
(2R)-4-hydroxy-2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,4-benzoxazin-3-one
|
327.29
|
-1.6
|
5
|
8
|
139.92
|
2
|
|
|
(2R,3S,5S)-2-[(R)-hydroxy(phenyl)methoxy]-6-[[(3R)-2,3,4-trihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
|
450.40
|
-3.9
|
9
|
13
|
218.99
|
7
|
|
|
(2R,3S,5S)-6-(hydroxymethyl)-2-[(R)-hydroxy(phenyl)methoxy]oxane-2,3,4,5-tetrol
|
302.28
|
-1.3
|
6
|
8
|
139.84
|
4
|
|
|
(2S,3S,5R)-2-[[(3S,5S,6S)-3,4,5-trihydroxy-6-[[(3S,5S,6S)-3,4,5-trihydroxy-6-[(E)-3-phenylprop-2-enoxy]oxan-2-yl]methoxy]oxan-2-yl]methoxy]oxane-2,3,4,5-tetrol
|
606.60
|
-4.9
|
10
|
16
|
257.68
|
10
|
|
|
(2Z)-2-[(1S,2R,3S,8R,9S,14R,15S,18S,19R,23S)-18-hydroxy-11-oxo-10-oxa-4-aza-1-azoniaoctacyclo[16.4.2.13,9.01,19.02,14.04,8.09,13.015,23]pentacos-12-en-17-ylidene]acetate
|
424.50
|
-1.8
|
1
|
6
|
89.9
|
0
|
|
|
[(1S,3R,5R,6R,8R,10R,11R,12S,13S,14S,19R,20S)-8,10,11,19-tetraacetyloxy-2,2,6,10-tetramethyl-20-(2-methylpropoxy)-7,17-dioxo-4,18-dioxatetracyclo[12.4.2.03,5.08,12]icosan-13-yl] acetate
|
724.80
|
3
|
0
|
15
|
196.63
|
13
|
|
|
(1R,2S,4S,6E,13S,15S)-4-hydroxy-2-methoxy-6,14,14-trimethyl-10-methylidene-3,16-dioxatetracyclo[11.3.2.01,15.04,15]octadec-6-en-8-one
|
362.50
|
2
|
1
|
5
|
68.29
|
1
|
|
|
[(1R,3E,5S,10R)-1-hydroxy-3,17,17-trimethyl-7-methylidene-14-oxo-15-oxatricyclo[8.5.2.013,16]heptadeca-3,13(16)-dien-5-yl] acetate
|
374.50
|
3.1
|
1
|
5
|
72.83
|
2
|
|
|
[(2S,3S)-2-(4-acetyloxy-3-methoxyphenyl)-6-(5,7-diacetyloxy-4-oxochromen-2-yl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl acetate
|
632.60
|
3.6
|
0
|
13
|
163.1
|
12
|
|
|
(2S,3R,4S)-3-ethenyl-4-[2-[1-[[(2S,3R,4S)-3-ethenyl-5-methoxycarbonyl-2-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]methyl]-9H-pyrido[3,4-b]indol-4-yl]ethyl]-2-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid
|
884.90
|
0.5
|
10
|
19
|
309.5
|
16
|
|
|
2-[4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxyphenyl]-5-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
|
726.60
|
-2
|
11
|
19
|
308.12
|
9
|
|
|
methyl (1S,2R,18R,19S,22S,34R,37S,40R,52S)-22-amino-2-[(2S,4R,5S,6R)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-64-[(2S,3S,4R,5R,6R)-3-[(2R,3S,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3S,4S,5R,6R)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-[[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-18,21,26,31,35,38,44,49,54,56,59-undecahydroxy-30-methyl-47-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3(66),4,6(65),8,10,12(64),14(63),15,17(62),20,23(61),24,26,29(60),30,32,35,38,41(57),42,44,46(51),47,49,53,55,58-heptacosaene-52-carboxylate
|
2067.90
|
-4.5
|
29
|
52
|
837.16
|
17
|
|
|
(2S,3R,4S,4aR,6aR,6bR,8aS,12aS,14aR,14bR)-8a-[(2S,3R,4S,5R,6R)-3-[(2R,3R,4S,5R,6R)-5-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxolan-2-yl]oxy-3,4,6-trihydroxyoxan-2-yl]oxy-5-[3-(3,4-dimethoxyphenyl)prop-2-enoyloxy]-4-hydroxy-6-methyloxan-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
|
1459.50
|
-1.7
|
17
|
33
|
515.11
|
22
|
|
|
5-hydroxy-2-[4-hydroxy-3-[(2S,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-methoxychromen-4-one
|
462.40
|
0.8
|
6
|
11
|
179.28
|
5
|
|
|
2-[(10S,12S,14S,18R,19S,20S,22S,23E,25E,27E,29E,31E,33E,35E,37R,38R)-22-[(2S,3S,4R,5R,6S)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-10,12,14,18,20-pentahydroxy-38-[(2S,4R,5R)-5-hydroxy-4-methyl-7-oxo-7-pyridin-4-ylheptan-2-yl]-37-methyl-2,4,8,16-tetraoxo-1-oxacyclooctatriaconta-23,25,27,29,31,33,35-heptaen-19-yl]acetic acid
|
1109.30
|
0.6
|
10
|
20
|
351.09
|
11
|
|
|
[(2R,3S,4R,5R,6S)-3-acetyloxy-6-[2-[(2S,3R,4R,5S,6R)-5-acetyloxy-6-(acetyloxymethyl)-3,4-dihydroxyoxan-2-yl]oxy-3-hydroxy-4-[(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]phenoxy]-4,5-dihydroxyoxan-2-yl]methyl acetate
|
794.70
|
0.4
|
6
|
20
|
289.8
|
18
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-[(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]oxycarbonyl-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
1397.50
|
-2.6
|
18
|
32
|
509.04
|
18
|
|
|
(1S,4'S,5'S,6'R,10E,12E,14S,15S,16E,19R,21R)-6'-cyclohexyl-4',7,15-trihydroxy-5',6,14,16-tetramethylspiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-4(9),5,7,10,12,16-hexaene-21,2'-oxane]-3-one
|
580.70
|
7
|
3
|
7
|
105.45
|
1
|
|
|
[(10R,11S,12R,13R,15R)-3,4,5,13,21,22,23-heptahydroxy-8,18-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-12-yl] 2-[[(11R,12S,14R,15R,37R,38R,40R,57R,58S,64S)-4,5,6,12,20,21,22,25,26,30,31,32,38,47,48,51,52-heptadecahydroxy-9,17,35,43,55,61-hexaoxo-58,64-bis[(3,4,5-trihydroxybenzoyl)oxy]-2,10,13,16,28,36,39,42,56,62-decaoxaundecacyclo[35.15.6.514,27.111,15.03,8.018,23.029,34.040,57.044,49.050,54.024,60]tetrahexaconta-1(52),3,5,7,18,20,22,24,26,29,31,33,44,46,48,50,53,59-octadecaen-46-yl]oxy]-3,4,5-trihydroxybenzoate
|
2353.60
|
3.6
|
36
|
66
|
1099.26
|
14
|
|
|
(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[(2S,5R)-5-hydroperoxy-6-methyl-2-[(2R,3R,5R,8R,9R,10R,12R,13R,14R,17S)-2,3,12-trihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-6-en-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
|
817.00
|
2
|
10
|
15
|
248.45
|
11
|
|
|
methyl (1R,2S,3R,6R,8S,11S,12S,13S,14R,15R,16S,17S)-11,12,15,16-tetrahydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4-oxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate
|
522.50
|
0.2
|
4
|
11
|
169.05
|
5
|
|
|
[(10R,11S,13R,31R,32S)-27-[5-[[(10R,11S,13R,31R,32S)-27-[5-[[(10R,11S,13R,31R,32S)-3,4,5,19,20,21,24,25,26,36,37,38-dodecahydroxy-8,16,29,34-tetraoxo-9,12,15,30,33-pentaoxaheptacyclo[33.3.1.02,7.010,32.013,31.017,22.023,28]nonatriaconta-1(39),2,4,6,17,19,21,23,25,27,35,37-dodecaen-11-yl]oxycarbonyl]-2,3-dihydroxyphenoxy]-3,4,5,19,20,21,24,25,26,36,37,38-dodecahydroxy-8,16,29,34-tetraoxo-9,12,15,30,33-pentaoxaheptacyclo[33.3.1.02,7.010,32.013,31.017,22.023,28]nonatriaconta-1(39),2,4,6,17,19,21,23(28),24,26,35,37-dodecaen-11-yl]oxycarbonyl]-2,3-dihydroxyphenoxy]-3,4,5,19,20,21,24,25,26,36,37,38-dodecahydroxy-8,16,29,34-tetraoxo-9,12,15,30,33-pentaoxaheptacyclo[33.3.1.02,7.010,32.013,31.017,22.023,28]nonatriaconta-1(39),2,4,6,17,19,21,23(28),24,26,35,37-dodecaen-11-yl] 3,4,5-trihydroxybenzoate
|
2805.90
|
6.2
|
43
|
78
|
1310.54
|
13
|
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