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Murcko scaffold

Ring system with 8 rings and 45 atoms

25 chemicals on CompoundList share this ring system.

Rings
8
Scaffold atoms
45
Chemicals
25
With full pages
13
Scaffold SMILES

C(CCC1CC2C(CC3C2CCC2C4CCC(OC5OCCCC5OC5CCCCO5)CC4CCC23)O1)COC1CCCCO1

A Bemis-Murcko scaffold is what remains of a molecule when every side chain is removed: the rings and the chains that link them. Chemicals that share a scaffold often belong to the same compound series, which helps when you look for analogues, alternative suppliers or related building blocks.

Substructure search with this scaffold
Murcko scaffold C(CCC1CC2C(CC3C2CCC2C4CCC(OC5OCCCC5OC5CCCCO5)CC4CCC23)O1)COC1CCCCO1

Computed from the structures of the chemicals listed here. Stereo and charges are removed before the scaffold is taken.

Chemicals with this scaffold

Open one to see its structure, properties and suppliers.

Showing 1 to 25 of 25 chemicals

Officinalisnin I chemical structure, C45H76O19, CAS 57944-18-0
Officinalisnin I
CAS 57944-18-0C45H76O19
Officinalisinin I chemical structure, C45H76O19, CAS 136656-07-0
Officinalisinin I
CAS 136656-07-0C45H76O19
beta-D-Glucopyranoside, (2alpha,3beta,5alpha,25R)-26-(beta-D-glucopyranosyloxy)-2,22-dihydroxyfurostan-3-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)- chemical structure, C45H76O19
beta-D-Glucopyranoside, (2alpha,3beta,5alpha,25R)-26-(beta-D-glucopyranosyloxy)-2,22-dihydroxyfurostan-3-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-
C45H76O19
Timosaponin bii chemical structure, C45H76O19
Timosaponin bii
C45H76O19
Anemarsaponin E chemical structure, C46H78O19, CAS 136565-73-6
Anemarsaponin E
CAS 136565-73-6C46H78O19
Timosaponin B II chemical structure, C45H76O19
Timosaponin B II
C45H76O19
Timosaponin B II chemical structure, C45H76O19
Timosaponin B II
C45H76O19
Anemarsaponin E chemical structure, C46H78O19
Anemarsaponin E
C46H78O19
Anemarsaponin E chemical structure, C46H78O19
Anemarsaponin E
C46H78O19
Trigoneoside xb chemical structure, C45H76O19, CAS 290347-51-2
Trigoneoside xb
CAS 290347-51-2C45H76O19
I(2)-D-Glucopyranoside, (3I(2),5I(2),22I+/-,25R)-26-(I(2)-D-glucopyranosyloxy)-22-methoxyfurostan-3-yl 2-O-I(2)-D-glucopyranosyl- chemical structure, C46H78O19, CAS 244779-38-2
I(2)-D-Glucopyranoside, (3I(2),5I(2),22I+/-,25R)-26-(I(2)-D-glucopyranosyloxy)-22-methoxyfurostan-3-yl 2-O-I(2)-D-glucopyranosyl-
CAS 244779-38-2C46H78O19
Macrostemonoside J chemical structure, C45H76O20, CAS 159935-09-8
Macrostemonoside J
CAS 159935-09-8C45H76O20
Timosaponin B II chemical structure, C45H76O19
Timosaponin B II
C45H76O19
Timosaponin B-II chemical structure, C45H76O19
Timosaponin B-II
C45H76O19
(2R,3R,4S,5S,6R)-2-[(2S)-4-[(1R,2S,4S,7S,8R,9S,12S,13S,16S,18R)-16-[(2R,3R,4S,5R,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-[(2S,4S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol chemical structure, C45H76O19
(2R,3R,4S,5S,6R)-2-[(2S)-4-[(1R,2S,4S,7S,8R,9S,12S,13S,16S,18R)-16-[(2R,3R,4S,5R,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-[(2S,4S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
C45H76O19
(2R,3R,4S,5S,6R)-2-[(2S)-4-[(4S,6R,7S,8R,9S,13S)-16-[(2R,3R,4S,5R,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol chemical structure, C45H76O19
(2R,3R,4S,5S,6R)-2-[(2S)-4-[(4S,6R,7S,8R,9S,13S)-16-[(2R,3R,4S,5R,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
C45H76O19
2-[4-[(1R,2S,4S,6R,8S,9S,12R,13S,18R)-16-[4,5-Dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol chemical structure, C45H76O19
2-[4-[(1R,2S,4S,6R,8S,9S,12R,13S,18R)-16-[4,5-Dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
C45H76O19
Anemarsaponin E chemical structure, C46H78O19
Anemarsaponin E
C46H78O19
Prototimosaponin A III chemical structure, C45H76O19
Prototimosaponin A III
C45H76O19
(25R)-26-O-|A-D-Glucopyranosyl-22-hydroxy-5|A-furost-3|A,26-diol-3-O-|A-D-glucopyranosyl-(1 inverted exclamation marku2)-|A-D-galactopyranoside chemical structure, C45H76O19, CAS 897386-27-5
(25R)-26-O-|A-D-Glucopyranosyl-22-hydroxy-5|A-furost-3|A,26-diol-3-O-|A-D-glucopyranosyl-(1 inverted exclamation marku2)-|A-D-galactopyranoside
CAS 897386-27-5C45H76O19
Timosaponin B2 chemical structure, C45H76O19
Timosaponin B2
C45H76O19
Anemarsaponin E1 chemical structure, C45H76O20, CAS 1276608-19-5
Anemarsaponin E1
CAS 1276608-19-5C45H76O20
Timosaponin E2 chemical structure, C46H78O20, CAS 222018-47-5
Timosaponin E2
CAS 222018-47-5C46H78O20
Timosaponin N chemical structure, C45H76O20, CAS 1010804-67-7
Timosaponin N
CAS 1010804-67-7C45H76O20