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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2S)-2-acetamido-5-(diaminomethylideneazaniumyl)pentanoate
|
216.24
|
-1
|
4
|
3
|
135.24
|
5
|
|
|
(2S,3R,4R,5S)-2-[(3S,5S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-5,6-dimethylheptane-3,4-diol
|
434.70
|
7.3
|
3
|
3
|
60.69
|
5
|
|
|
Edulinine
|
291.34
|
0.8
|
2
|
4
|
71.69
|
4
|
|
|
(10R,11R)-10-[(10R,11S)-11-[(S)-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-6-yl]-hydroxymethyl]-3,4,5,16,17,18-hexahydroxy-8,13-dioxo-9,12-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaen-10-yl]-3,4,5,11,17,18,19-heptahydroxy-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaene-8,14-dione
|
1074.80
|
2
|
19
|
28
|
498.8
|
4
|
|
|
Frullanolide
|
232.32
|
3.1
|
0
|
2
|
26.3
|
0
|
|
|
(10R,11S)-11-[(10R,11R)-11-[2-[(14R,15S,19S)-14-[(10R,11R)-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]-2,3,4,7,8,9-hexahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-19-yl]-3,4,5-trihydroxybenzoyl]oxy-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]-3,4,5,16,17,18-hexahydroxy-8,13-dioxo-9,12-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaene-10-carboxylic acid
|
1871.30
|
3.8
|
31
|
52
|
907.2
|
10
|
|
|
[(2R,3R,4S,5R,6S)-6-hydroxy-4,5-bis[(3,4,5-trihydroxybenzoyl)oxy]-2-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-3-yl] 3,4,5-trihydroxy-2-[[(10R,11S,12R,13S,15R)-3,4,5,22,23-pentahydroxy-8,18-dioxo-11,12,13-tris[(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-21-yl]oxy]benzoate
|
1725.20
|
3.9
|
27
|
48
|
810.6
|
24
|
|
|
Methylselenic acid
|
127.01
|
|
1
|
2
|
37.3
|
0
|
|
|
3-[[(2S,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-[4-hydroxy-5-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
|
875.70
|
|
15
|
24
|
413.5
|
14
|
|
|
(1S,15R)-10,21,22,26-tetramethoxy-16,31-dimethyl-8,24-dioxa-16,31-diazaheptacyclo[23.6.2.13,7.19,13.115,19.028,32.023,34]hexatriaconta-3(36),4,6,9,11,13(35),19,21,23(34),25,27,32-dodecaene
|
622.70
|
6.7
|
0
|
8
|
61.86
|
4
|
|
|
9-Ribosylzeatin
|
351.36
|
-0.1
|
5
|
9
|
145.78
|
6
|
|
|
[(1S,3S,5S,7R,9S,10R,12R,14R,15S,18R,19R,20R,22R,23R)-14-formyl-10,20,22-trihydroxy-7,18-dimethyl-19-(5-oxo-2H-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosan-9-yl] acetate
|
590.70
|
0.5
|
3
|
11
|
158.05
|
4
|
|
|
(2S)-4-[(2R,13S)-2,13-dihydroxy-13-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]-8-oxotridecyl]-2-methyl-2H-furan-5-one
|
594.90
|
7.9
|
3
|
7
|
113.29
|
26
|
|
|
Acetyl aleuritolic acid
|
498.70
|
8.4
|
1
|
4
|
63.6
|
3
|
|
|
Syringopicroside
|
494.50
|
-0.1
|
5
|
11
|
172.21
|
8
|
|
|
(1S,1aS,1bS,5R,5aR,6aR)-5a-methyl-2-methylidene-1-propan-2-yl-1,1a,1b,3,4,5,6,6a-octahydrocyclopropa[a]inden-5-ol
|
220.35
|
3.2
|
1
|
1
|
20.23
|
1
|
|
|
beta-Ergoptine
|
561.70
|
2.3
|
3
|
6
|
118.21
|
5
|
|
|
3-O-digalloyl-1,2,4,6-tetra-O-beta-D-galloylglucose
|
1092.80
|
3.4
|
17
|
30
|
510.94
|
19
|
|
|
[(10R,11R)-10-[(10S,11R)-11-formyl-3,4,5,16,17,18-hexahydroxy-8,13-dioxo-9,12-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaen-10-yl]-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-11-yl] 3,4,5-trihydroxybenzoate
|
936.60
|
1.8
|
15
|
26
|
452.02
|
5
|
|
|
[3,4,5,21,22,23-Hexahydroxy-8,18-dioxo-11,12-bis[(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-13-yl] 2-[[3,4,5,13,22,23-hexahydroxy-8,18-dioxo-11,12-bis[(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-21-yl]oxy]-3,4,5-trihydroxybenzoate
|
1723.20
|
2.5
|
27
|
48
|
810.6
|
17
|
|
|
[(10R,11S,12R,13S,15R)-3,4,5,21,22,23-hexahydroxy-8,18-dioxo-11,12-bis[(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-13-yl] 2-[[(10R,11S,12R,13R,15R)-3,4,5,13,22,23-hexahydroxy-8,18-dioxo-11,12-bis[(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-21-yl]oxy]-3,4,5-trihydroxybenzoate
|
1723.20
|
2.5
|
27
|
48
|
810.6
|
17
|
|
|
Pavetannin D1
|
1441.30
|
5.2
|
24
|
30
|
540.9
|
8
|
|
|
(1R,5R,6R,7S,13R,21R)-5,13-bis(3,4-dihydroxyphenyl)-16-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-7-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol
|
1441.30
|
5.2
|
24
|
30
|
540.9
|
8
|
|
|
Pavetannin C1
|
1153.00
|
4.3
|
19
|
24
|
430.52
|
6
|
|
|
Tannin B
|
1153.00
|
4.3
|
19
|
24
|
430.52
|
6
|
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