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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Argentatine B
|
456.70
|
6.6
|
1
|
3
|
46.53
|
1
|
|
|
16,26-Dimethoxy-7,22-dimethyl-29,31-dioxa-7,22-diazaoctacyclo[19.9.3.14,30.110,14.115,19.03,8.025,33.028,32]hexatriaconta-1(30),2,4(34),10(36),11,13,15,17,19(35),25,27,32-dodecaen-13-ol
|
576.70
|
6.1
|
1
|
7
|
63.63
|
2
|
|
|
(8S,21S)-16,26-dimethoxy-7,22-dimethyl-29,31-dioxa-7,22-diazaoctacyclo[19.9.3.14,30.110,14.115,19.03,8.025,33.028,32]hexatriaconta-1(30),2,4(34),10(36),11,13,15,17,19(35),25,27,32-dodecaen-13-ol
|
576.70
|
6.1
|
1
|
7
|
63.63
|
2
|
|
|
(8S,21S)-16,26,27-trimethoxy-22-methyl-29,31-dioxa-7,22-diazaoctacyclo[19.9.3.14,30.110,14.115,19.03,8.025,33.028,32]hexatriaconta-1(30),2,4(34),10(36),11,13,15,17,19(35),25(33),26,28(32)-dodecaen-13-ol
|
592.70
|
5.6
|
2
|
8
|
81.65
|
3
|
|
|
16,26,27-Trimethoxy-7,22-dimethyl-29,31-dioxa-7,22-diazaoctacyclo[19.9.3.14,30.110,14.115,19.03,8.025,33.028,32]hexatriaconta-1(30),2,4(34),10(36),11,13,15,17,19(35),25(33),26,28(32)-dodecaen-13-ol
|
606.70
|
6
|
1
|
8
|
72.86
|
3
|
|
|
(8S,21S)-16,26,27-trimethoxy-7,22-dimethyl-29,31-dioxa-7,22-diazaoctacyclo[19.9.3.14,30.110,14.115,19.03,8.025,33.028,32]hexatriaconta-1(30),2,4(34),10(36),11,13,15,17,19(35),25(33),26,28(32)-dodecaen-13-ol
|
606.70
|
6
|
1
|
8
|
72.86
|
3
|
|
|
(8S,21R)-16,27-dimethoxy-7,22-dimethyl-29,31-dioxa-7,22-diazaoctacyclo[19.9.3.14,30.110,14.115,19.03,8.025,33.028,32]hexatriaconta-1(30),2,4(34),10(36),11,13,15,17,19(35),25,27,32-dodecaen-13-ol
|
576.70
|
6.1
|
1
|
7
|
63.63
|
2
|
|
|
2'-Nortiliacorinine
|
562.70
|
5.6
|
2
|
7
|
72.42
|
2
|
|
|
(8S,21S)-13,27-dimethoxy-22-methyl-29,31-dioxa-7,22-diazaoctacyclo[19.9.3.14,30.110,14.115,19.03,8.025,33.028,32]hexatriaconta-1(30),2,4(34),10(36),11,13,15,17,19(35),25,27,32-dodecaen-16-ol
|
562.70
|
5.6
|
2
|
7
|
72.42
|
2
|
|
|
(1R,4S,8S,9S,10S,11S)-9,10-dihydroxy-11-methyl-2,7-dimethylidene-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-6-one
|
280.32
|
0.3
|
2
|
5
|
75.99
|
0
|
|
|
(S)-(+)-Canadaline
|
369.40
|
3
|
0
|
6
|
57.23
|
5
|
|
|
1,4,7-Trihydroxyxanthone
|
244.20
|
2.4
|
3
|
5
|
90.9
|
0
|
|
|
2-(4-Methylphenyl)propan-2-ol
|
150.22
|
2
|
1
|
1
|
20.23
|
1
|
|
|
3',4'-Dihydroxyacetophenone
|
152.15
|
1.5
|
2
|
3
|
57.53
|
1
|
|
|
Flemiflavanone A
|
438.50
|
6.2
|
3
|
6
|
96.22
|
6
|
|
|
2,4-Dimethylquinoline
|
157.21
|
3
|
0
|
1
|
12.89
|
0
|
|
|
2,3,5-Tri-O-methyl-L-arabinose
|
192.21
|
-1.2
|
1
|
5
|
64.99
|
7
|
|
|
2-o-Methylxylose
|
164.16
|
-1.8
|
3
|
5
|
86.99
|
5
|
|
|
2-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-5,6-dimethylheptane-3,4-diol
|
432.70
|
6.5
|
3
|
3
|
60.69
|
5
|
|
|
3-[[(3S,7S,8S,9R,10R,13R,14S,17R)-9-formyl-7-hydroxy-17-[(E,2R)-6-hydroxy-6-methylhept-4-en-2-yl]-4,4,13,14-tetramethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3-oxopropanoic acid
|
558.70
|
5
|
3
|
7
|
121.13
|
9
|
|
|
Tridecyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
|
362.50
|
8.4
|
2
|
4
|
66.76
|
15
|
|
|
17-(5,6-Dimethylheptan-2-yl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
|
398.70
|
8.8
|
0
|
1
|
17.07
|
5
|
|
|
(24S)-Ergost-4-en-3-one
|
398.70
|
8.8
|
0
|
1
|
17.07
|
5
|
|
|
2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-
|
296.50
|
8.2
|
1
|
1
|
20.23
|
13
|
|
|
[(3S,4S,5S,9R,10S,13R,14R,17R)-17-[(2R,5R)-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-yl] acetate
|
468.80
|
10
|
0
|
2
|
26.3
|
8
|
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