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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
3,5,7-trihydroxy-2-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
448.40
0.1
7
11
190.28
4
3,5-dihydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
432.40
0.6
6
10
170.05
3
(2S,3S,4S,5R,6S)-6-[[(3S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
927.10
3.6
10
17
274.75
8
8-[(7R)-5-methoxy-2,2-dimethyl-4,6,7,8-tetrahydro-3H-pyrano[3,2-g]chromen-7-yl]-2,2-dimethylchromen-5-ol
422.50
5.2
1
5
57.15
2
(3R)-3,4-Dihydro-3-[2-hydroxy-4-methoxy-3-(3-methyl-2-buten-1-yl)phenyl]-5-methoxy-2H-1-benzopyran-7-ol
370.40
4.8
2
5
68.15
5
(8R,9R,10R,13R,14S,16R,17R)-16-hydroxy-17-[(2R)-2-hydroxy-6-methyl-3-oxohept-6-en-2-yl]-4,4,9,13,14-pentamethyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione
660.80
2.4
6
11
191.05
8
(1R,4aR,5R,8aS)-3-methyl-8-methylidene-5-propan-2-yl-2,4a,5,6,7,8a-hexahydro-1H-naphthalen-1-ol
220.35
3.2
1
1
20.23
1
(1S,2S,5S,7S,8S)-2,6,6,7-tetramethyltricyclo[5.2.2.01,5]undecan-8-ol
222.37
4.3
1
1
20.23
0
methyl (1S,4aS,8S,8aS)-1-methyl-3-oxo-8-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,8,8a-tetrahydro-1H-pyrano[3,4-c]pyran-5-carboxylate
404.40
-1.7
4
11
161.21
5
(3S,7R,8S,9R,10R,13R,14S,17R)-3,7-dihydroxy-4,4,13,14-tetramethyl-17-[(2R,4E)-6-methylhepta-4,6-dien-2-yl]-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-9-carbaldehyde
454.70
6.4
2
3
57.53
5
(E)-1-[2,4-dihydroxy-3-[(2S)-5-hydroxy-5-methyl-2-prop-1-en-2-ylhexyl]-6-methoxyphenyl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one
456.50
5.2
5
7
127.45
10
[(2R,3R,4R)-4-formyl-2,3-dihydroxy-4,5-bis[(3,4,5-trihydroxybenzoyl)oxy]pentyl] 3,4,5-trihydroxybenzoate
636.50
-0.2
11
18
318.5
14
(6aS,11aS)-8-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
286.28
2.3
2
5
68.15
1
(2R)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)-8-[(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]-2,3-dihydrochromen-4-one
492.60
7.7
4
6
107.22
8
(E)-1-[2,4-dihydroxy-6-methoxy-3-[(2S)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]phenyl]-3-(4-hydroxy-2-methoxyphenyl)prop-2-en-1-one
452.50
6.9
3
6
96.22
10
(2R,3S)-3-hydroxy-2-(4-methoxyphenyl)-7-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one
580.50
-1.9
7
14
214.06
7
(2R,3S)-2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
440.50
5.3
5
7
127.45
5
(2S,3R)-2-(2,4-dihydroxyphenyl)-3,7-dihydroxy-5-methoxy-8-[(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]-2,3-dihydrochromen-4-one
454.50
5
4
7
116.45
7
(2S)-5,7-dihydroxy-2-(4-hydroxy-2-methoxyphenyl)-8-[(2R)-5-hydroxy-5-methyl-2-prop-1-en-2-ylhexyl]-2,3-dihydrochromen-4-one
456.50
4.8
4
7
116.45
8
(2S)-5,7-dihydroxy-2-(4-hydroxy-2-methoxyphenyl)-8-[(2R)-2-[(2R)-1-hydroxypropan-2-yl]-5-methylhex-4-enyl]-2,3-dihydrochromen-4-one
456.50
5
4
7
116.45
8
(2R)-2-(2,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
386.40
3.9
4
7
116.45
4
(1R,2S,4R,12S,14S)-4-(2,4-dihydroxyphenyl)-8-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-10,18-dihydroxy-14-methyl-3,5,15-trioxahexacyclo[12.6.1.116,20.02,4.02,12.06,11]docosa-6,8,10,16(22),17,19-hexaen-13-one
594.60
4.4
6
10
169.44
3
L-Gul(a1-4)b-Tal
342.30
-4.7
8
11
189.53
4
[(3aR,4S,9aR,9bR)-9-(hydroxymethyl)-6-methyl-3-methylidene-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] 2-(4-hydroxyphenyl)acetate
410.40
1.1
2
7
110.13
5
(12R)-19-methoxy-4,6-dioxa-13-azapentacyclo[10.7.1.02,10.03,7.016,20]icosa-1(20),2(10),3(7),8,16,18-hexaen-18-ol
311.30
2.4
2
5
59.95
1
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