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SCFBio, IIT Delhi Hauz Khas, New Delhi

Chemical Library

Physicochemical properties (MW, LogP) of all entries.

Total Rows 105,909
Pages 4,237
BIMP_ID Name Mol Weight LogP HBD HBA TPSA Rotatable Bonds
TR-saponin C
1067.20
3.6
8
21
321.03
17
(2aS,4aR,8S)-2,2,4a,8-tetramethyl-2a,3,4,5,6,7-hexahydro-1H-cyclobuta[i]inden-8-ol
222.37
4
1
1
20.23
0
2-(hydroxymethyl)-6-[[8-[(E)-6-hydroxy-6-methylhept-4-en-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-yl]oxy]oxane-3,4,5-triol
618.80
4.6
5
8
128.84
7
Assamsaponin B
1273.40
-0.4
12
28
429.64
19
Assamsaponin C
1231.30
-0.9
13
27
423.57
17
Assamsaponin D
1233.30
-0.2
14
27
426.73
17
Assamsaponin A
1173.30
0.2
13
25
397.27
15
Canarigenin 3-[glucosyl-(1->4)-6-deoxy-alloside]
680.80
-0.3
7
13
204.83
6
Isomasticadienonalic acid
468.70
5.8
1
4
71.44
6
(2a,3b,5a,6a,22R,25R)-Furostane-22-methoxy-2,3,6,26-tetrol 3-[glucosyl-(1->2)-[xylosyl-(1->3)]-glucosyl-(1->4)-galactoside] 26-glucoside
1261.40
-4.7
18
30
474.9
19
7,2',5'-Trihydroxy-6,4'-dimethoxyisoflavone 2'-O-glucoside
492.40
0.3
6
12
188.51
6
Pelargonidin 3-O-[b-D-Glucopyranosyl-(1->2)-[4-hydroxy-3-methoxy-(E)-cinnamoyl-(->6)]-b-D-glucopyranoside] 5-O-b-D-glucopyranoside
933.80
13
22
365.2
15
Cyanidin 3-O-[4-Hydroxy-E-cinnamoyl-(->6)-b-D-glucopyranosyl-(1->2)-b-D-glucopyranoside] 5-glucoside
919.80
14
22
376.2
14
[6-[2-[2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-6-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
1097.90
16
26
442.96
18
[6-[2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-3,4-dihydroxy-5-[3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
1112.00
15
26
431.96
19
Myricetin 3-(6-acetylgalactoside)
522.40
0
8
14
236.81
6
[2-[(2E)-2-(cyanomethylidene)-3-hydroxy-4,5-dimethoxycyclohexyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
551.50
-1
5
13
197.39
10
Tuberoside A (Allium tuberosum)
903.10
0.5
11
18
287.14
12
Tuberoside B (Allium tuberosum)
1049.20
-1.2
13
22
346.06
14
6-Caffeoylsucrose
504.40
-2.3
9
14
236.06
9
beta-Chacotriosyllilagen
885.00
0.4
9
17
255.91
7
1-[1,4-Dihydro-4-nonyl-5-(1-oxodecyl)-3-pyridinyl]-1-dodecanone
543.90
13.9
1
3
46.17
28
12,14-Triacontanedione
450.80
12.8
0
2
34.14
27
Saponin H
650.80
4.2
5
10
158.44
7
Taraxacolide 1-O-b-D-glucopyranoside
428.50
-0.1
4
9
142.75
3
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