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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(3I(2),5I+/-,25R)-26-(I(2)-D-Glucopyranosyloxy)-22-hydroxyfurostan-3-yl O-I(2)-D-glucopyranosyl-(1a4)-O-I(2)-D-glucopyranosyl-(1a2)-O-[I(2)-D-xylopyranosyl-(1a3)]-O-I(2)-D-glucopyranosyl-(1a4)-I(2)-D-galactopyranoside
|
1377.50
|
-5.1
|
20
|
33
|
524.59
|
21
|
|
|
[6-[4,5-dihydroxy-6-(hydroxymethyl)-2-[[12-hydroxy-4,4,8,10,14-pentamethyl-17-[6-methyl-2-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]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-3,4,5-trihydroxyoxan-2-yl]methyl acetate
|
1151.30
|
0.3
|
14
|
24
|
383.36
|
18
|
|
|
(R)-Apiumetin
|
244.24
|
2.9
|
1
|
4
|
59.67
|
1
|
|
|
Theasaponin B1
|
1307.40
|
1.9
|
12
|
27
|
412.57
|
19
|
|
|
Ipomeatetrahydrofuran
|
256.38
|
2.3
|
1
|
3
|
46.53
|
7
|
|
|
2,3,4,5-Tetrahydro-5-methyl-5-(4-methyl-2-oxopentyl)-[2,3'-bifuran]-2'(5'H)-one, 9CI
|
266.33
|
1.6
|
0
|
4
|
52.6
|
5
|
|
|
Epoxymurin B
|
530.90
|
13.8
|
0
|
3
|
38.83
|
27
|
|
|
Epomuricenin B
|
530.90
|
13.8
|
0
|
3
|
38.83
|
27
|
|
|
2-Carboxyarabinitol 5-phosphate
|
276.14
|
-4.7
|
7
|
10
|
194.79
|
7
|
|
|
10-[4-[3,4-Dihydroxy-6-methyl-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3,5-dihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
1059.20
|
1
|
12
|
21
|
333.67
|
10
|
|
|
Melongoside M
|
1209.30
|
-2.4
|
15
|
27
|
414.21
|
14
|
|
|
Melongoside K
|
1047.20
|
-0.8
|
12
|
22
|
335.06
|
11
|
|
|
Medicoside F
|
929.10
|
1.3
|
11
|
18
|
294.98
|
10
|
|
|
9alpha-(3-Methyl-2E-pentenoyloxy)-4S-hydroxy-10(14)-oplopen-3-one
|
348.50
|
4.1
|
1
|
4
|
63.6
|
6
|
|
|
9alpha-(Angeloyloxy)-4S-hydroxy-10(14)-oplopen-3-one 4-acetate
|
376.50
|
3.5
|
0
|
5
|
69.67
|
7
|
|
|
Capsicoside E1
|
1213.30
|
-3.5
|
16
|
28
|
434.44
|
14
|
|
|
Melongoside G
|
887.10
|
2.2
|
9
|
17
|
255.91
|
8
|
|
|
Melongoside L
|
1211.30
|
-1.5
|
15
|
27
|
414.21
|
14
|
|
|
Mahanimbinol
|
333.50
|
7.2
|
2
|
1
|
36.02
|
5
|
|
|
(ent-2b,4S,9a)-2,4,9-Trihydroxy-10(14)-oplopen-3-one 2-(2-methylbutanoate) 9-(3-methyl-2E-pentenoate)
|
448.60
|
5.5
|
1
|
6
|
89.9
|
10
|
|
|
2-(2-Methylbutanoyl)-9-(3-methyl-2E-pentenoyl)-2b,9a-dihydroxy-4Z,10(14)-oplopadien-3-one
|
430.60
|
5.9
|
0
|
5
|
69.67
|
9
|
|
|
Calenduloside G methyl ester
|
809.00
|
4.9
|
7
|
14
|
221.9
|
8
|
|
|
(E)-25-methyltritriacont-21-ene-1,9,11-triol
|
524.90
|
12.6
|
3
|
3
|
60.69
|
30
|
|
|
1,7-Pentatriacontadien-11-ol
|
504.90
|
16
|
1
|
1
|
20.23
|
31
|
|
|
8-Deoxy-11-hydroxy-13-chlorogrosheimin
|
298.76
|
1.2
|
1
|
4
|
63.6
|
1
|
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