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Murcko scaffold

Ring system with 9 rings and 50 atoms

24 chemicals on CompoundList share this ring system.

Rings
9
Scaffold atoms
50
Chemicals
24
With full pages
2
Scaffold SMILES

C1=C2C3CCCCC3CCC2C2CCC3CC(OC4OCCC(OC5OCCCC5OC5CCCCO5)C4OC4CCCCO4)CCC3C2C1

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 C1=C2C3CCCCC3CCC2C2CCC3CC(OC4OCCC(OC5OCCCC5OC5CCCCO5)C4OC4CCCCO4)CCC3C2C1

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 24 of 24 chemicals

(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9S,12aS,14aR,14bR)-4-Formyl-8-hydroxy-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-9-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid chemical structure, C58H90O26, CAS 156317-50-9
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9S,12aS,14aR,14bR)-4-Formyl-8-hydroxy-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-9-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
CAS 156317-50-9C58H90O26
(2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8R,8aR,9S,12aS,14aR,14bR)-8-Hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-9-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid chemical structure, C58H92O26, CAS 156250-58-7
(2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8R,8aR,9S,12aS,14aR,14bR)-8-Hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-9-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
CAS 156250-58-7C58H92O26
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8a-(Acetyloxymethyl)-4-formyl-8,9-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid chemical structure, C60H92O28, CAS 316157-18-3
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8a-(Acetyloxymethyl)-4-formyl-8,9-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
CAS 316157-18-3C60H92O28
Assamsaponin F chemical structure, C62H94O29, CAS 316157-15-0
Assamsaponin F
CAS 316157-15-0C62H94O29
Floratheasaponin G chemical structure, C60H94O26, CAS 942924-90-5
Floratheasaponin G
CAS 942924-90-5C60H94O26
Theasaponin E1 chemical structure, C58H88O27, CAS 220114-28-3
Theasaponin E1
CAS 220114-28-3C58H88O27
Floratheasaponin A chemical structure, C58H90O26, CAS 865855-20-5
Floratheasaponin A
CAS 865855-20-5C58H90O26
Theasaponin E2 chemical structure, C58H88O27, CAS 220114-30-7
Theasaponin E2
CAS 220114-30-7C58H88O27
Gordonoside I chemical structure, C57H90O24, CAS 1293918-31-6
Gordonoside I
CAS 1293918-31-6C57H90O24
Gordonoside J chemical structure, C57H90O25, CAS 1293918-32-7
Gordonoside J
CAS 1293918-32-7C57H90O25
Chakasaponin ii chemical structure, C62H96O27, CAS 1075184-17-6
Chakasaponin ii
CAS 1075184-17-6C62H96O27
Chakasaponin iii chemical structure, C59H92O27, CAS 1075184-18-7
Chakasaponin iii
CAS 1075184-18-7C59H92O27
beta-D-Glucopyranosiduronic acid, (3beta,4alpha,16alpha,22alpha)-16,28-dihydroxy-22-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]-23-oxoolean-12-en-3-yl O-beta-D-galactopyranosyl-(1-->2)-O-[O-beta-D-xylopyranosyl-(1-->2)-alpha-L-arabinopyranosyl-(1-->3)]- chemical structure, C57H88O25, CAS 259747-95-0
beta-D-Glucopyranosiduronic acid, (3beta,4alpha,16alpha,22alpha)-16,28-dihydroxy-22-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]-23-oxoolean-12-en-3-yl O-beta-D-galactopyranosyl-(1-->2)-O-[O-beta-D-xylopyranosyl-(1-->2)-alpha-L-arabinopyranosyl-(1-->3)]-
CAS 259747-95-0C57H88O25
Assamsaponin C chemical structure, C59H90O27, CAS 259748-14-6
Assamsaponin C
CAS 259748-14-6C59H90O27
(3I(2),4I+/-,16I+/-,21I(2),22I+/-)-22-(Acetyloxy)-16,23,28-trihydroxy-21-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]olean-12-en-3-yl O-I(2)-D-galactopyranosyl-(1a2)-O-[O-I(2)-D-xylopyranosyl-(1a2)-I+/--L-arabinopyranosyl-(1a3)]-I(2)-D-glucopyranosiduronic acid chemical structure, C59H92O27, CAS 259748-69-1
(3I(2),4I+/-,16I+/-,21I(2),22I+/-)-22-(Acetyloxy)-16,23,28-trihydroxy-21-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]olean-12-en-3-yl O-I(2)-D-galactopyranosyl-(1a2)-O-[O-I(2)-D-xylopyranosyl-(1a2)-I+/--L-arabinopyranosyl-(1a3)]-I(2)-D-glucopyranosiduronic acid
CAS 259748-69-1C59H92O27
16alpha,28-Dihydroxy-22alpha-{[(2Z)-2-methylbut-2-enoyl]oxy}olean-12-en-3beta-yl beta-D-galactopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->2)-alpha-L-arabinopyranosyl-(1->3)]-beta-D-glucopyranosiduronic acid chemical structure, C58H92O25, CAS 183020-18-0
16alpha,28-Dihydroxy-22alpha-{[(2Z)-2-methylbut-2-enoyl]oxy}olean-12-en-3beta-yl beta-D-galactopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->2)-alpha-L-arabinopyranosyl-(1->3)]-beta-D-glucopyranosiduronic acid
CAS 183020-18-0C58H92O25
Floratheasaponin C chemical structure, C62H98O27, CAS 865855-22-7
Floratheasaponin C
CAS 865855-22-7C62H98O27
Assamsaponin B chemical structure, C61H92O28, CAS 259748-07-7
Assamsaponin B
CAS 259748-07-7C61H92O28
(3I(2),16I+/-,21I(2),22I+/-)-28-(Acetyloxy)-16,22-dihydroxy-21-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]olean-12-en-3-yl O-I(2)-D-galactopyranosyl-(1a2)-O-[O-I(2)-D-xylopyranosyl-(1a2)-I+/--L-arabinopyranosyl-(1a3)]-I(2)-D-glucopyranosiduronic acid chemical structure, C59H92O26, CAS 259748-74-8
(3I(2),16I+/-,21I(2),22I+/-)-28-(Acetyloxy)-16,22-dihydroxy-21-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]olean-12-en-3-yl O-I(2)-D-galactopyranosyl-(1a2)-O-[O-I(2)-D-xylopyranosyl-(1a2)-I+/--L-arabinopyranosyl-(1a3)]-I(2)-D-glucopyranosiduronic acid
CAS 259748-74-8C59H92O26
(3I(2),4I+/-,16I+/-,22I+/-)-16,28-Dihydroxy-22-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]-23-oxoolean-12-en-3-yl O-I(2)-D-galactopyranosyl-(1a2)-O-[O-I(2)-D-glucopyranosyl-(1a2)-I+/--L-arabinopyranosyl-(1a3)]-I(2)-D-glucopyranosiduronic acid chemical structure, C58H90O26, CAS 156250-57-6
(3I(2),4I+/-,16I+/-,22I+/-)-16,28-Dihydroxy-22-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]-23-oxoolean-12-en-3-yl O-I(2)-D-galactopyranosyl-(1a2)-O-[O-I(2)-D-glucopyranosyl-(1a2)-I+/--L-arabinopyranosyl-(1a3)]-I(2)-D-glucopyranosiduronic acid
CAS 156250-57-6C58H90O26
(3I(2),16I+/-,22I+/-)-16,28-Dihydroxy-22-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy]olean-12-en-3-yl O-I(2)-D-galactopyranosyl-(1a2)-O-[O-I(2)-D-glucopyranosyl-(1a2)-I+/--L-arabinopyranosyl-(1a3)]-I(2)-D-glucopyranosiduronic acid chemical structure, C58H92O25, CAS 183183-15-5
(3I(2),16I+/-,22I+/-)-16,28-Dihydroxy-22-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy]olean-12-en-3-yl O-I(2)-D-galactopyranosyl-(1a2)-O-[O-I(2)-D-glucopyranosyl-(1a2)-I+/--L-arabinopyranosyl-(1a3)]-I(2)-D-glucopyranosiduronic acid
CAS 183183-15-5C58H92O25
(3I(2),4I+/-,16I+/-,21I(2),22I+/-)-22-(Acetyloxy)-16,28-dihydroxy-21-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]-23-oxoolean-12-en-3-yl O-I(2)-D-galactopyranosyl-(1a2)-O-[O-I(2)-D-glucopyranosyl-(1a2)-I+/--L-arabinopyranosyl-(1a3)]-I(2)-D-glucopyranosiduronic acid chemical structure, C60H92O28, CAS 316157-16-1
(3I(2),4I+/-,16I+/-,21I(2),22I+/-)-22-(Acetyloxy)-16,28-dihydroxy-21-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]-23-oxoolean-12-en-3-yl O-I(2)-D-galactopyranosyl-(1a2)-O-[O-I(2)-D-glucopyranosyl-(1a2)-I+/--L-arabinopyranosyl-(1a3)]-I(2)-D-glucopyranosiduronic acid
CAS 316157-16-1C60H92O28
(3I(2),4I+/-,16I+/-,21I(2),22I+/-)-28-(Acetyloxy)-16,22-dihydroxy-21-[[(2Z)-2-methyl-1-oxo-2-butenyl]oxy]-23-oxoolean-12-en-3-yl O-I(2)-D-galactopyranosyl-(1a2)-O-[O-I(2)-D-glucopyranosyl-(1a2)-I+/--L-arabinopyranosyl-(1a3)]-I(2)-D-glucopyranosiduronic acid chemical structure, C60H92O28, CAS 316157-17-2
(3I(2),4I+/-,16I+/-,21I(2),22I+/-)-28-(Acetyloxy)-16,22-dihydroxy-21-[[(2Z)-2-methyl-1-oxo-2-butenyl]oxy]-23-oxoolean-12-en-3-yl O-I(2)-D-galactopyranosyl-(1a2)-O-[O-I(2)-D-glucopyranosyl-(1a2)-I+/--L-arabinopyranosyl-(1a3)]-I(2)-D-glucopyranosiduronic acid
CAS 316157-17-2C60H92O28
(3I(2),16I+/-)-16,28-Dihydroxyolean-12-en-3-yl O-I(2)-D-galactopyranosyl-(1a2)-O-[O-I(2)-D-glucopyranosyl-(1a2)-I(2)-D-galactopyranosyl-(1a3)]-I(2)-D-glucopyranosiduronic acid chemical structure, C54H88O24, CAS 380303-70-8
(3I(2),16I+/-)-16,28-Dihydroxyolean-12-en-3-yl O-I(2)-D-galactopyranosyl-(1a2)-O-[O-I(2)-D-glucopyranosyl-(1a2)-I(2)-D-galactopyranosyl-(1a3)]-I(2)-D-glucopyranosiduronic acid
CAS 380303-70-8C54H88O24