Murcko scaffold
Ring system with 8 rings and 43 atoms
37 chemicals on CompoundList share this ring system.
- Rings
- 8
- Scaffold atoms
- 43
- Chemicals
- 37
- With full pages
- 16
Scaffold SMILES
C1=C2C3CCCCC3CCC2C2CCC3CC(OC4OCC(OC5CCCCO5)CC4OC4CCCCO4)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.
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 37 of 37 chemicals
Oleanoglycotoxin-A
CAS 50657-29-9C48H78O18
Aescin
C55H86O24
Escin
CAS 6805-41-0C110H172O48
Escin ia
CAS 123748-68-5C55H86O24
Escin ib
CAS 26339-90-2C55H86O24
Isoescin IA
CAS 219944-39-5C55H86O24
Isoescin IB
CAS 219944-46-4C55H86O24
Saponins
CAS 8047-15-2C55H86O24
beta-Escin
C55H86O24
Escin IIIa
CAS 158800-84-1C55H86O23
Escin IIa
CAS 158732-55-9C54H84O23
Escin IIB
CAS 158800-83-0C54H84O23
![I(2)-D-Glucopyranosiduronic acid, (3I(2))-17-carboxy-28-norolean-12-en-3-yl O-I(2)-D-glucopyranosyl-(1a4)-O-[I(2)-D-xylopyranosyl-(1a2)]-, 3-acetate chemical structure, C49H76O19, CAS 333333-27-0](/s/RMGKGCYVUJKQSS-NWPXBHKHSA-N.svg)
I(2)-D-Glucopyranosiduronic acid, (3I(2))-17-carboxy-28-norolean-12-en-3-yl O-I(2)-D-glucopyranosyl-(1a4)-O-[I(2)-D-xylopyranosyl-(1a2)]-, 3-acetate
CAS 333333-27-0C49H76O19
Aesculuside B
CAS 26339-92-4C48H78O22
Aesculioside C
CAS 254896-65-6C58H90O24
Deacetylescin ia
CAS 254896-53-2C53H84O23
Aesculioside D
CAS 254896-66-7C58H90O24
Hederacolchiside A1
CAS 106577-39-3C47H76O16
Hederacolchiside A
CAS 68027-15-6C47H76O17
![Methyl (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8a-(acetyloxymethyl)-8,9-dihydroxy-4-(hydroxymethyl)-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-hydroxy-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxane-2-carboxylate chemical structure, C56H88O24, CAS 254896-70-3](/s/RGTNKIXWAOWJPX-PGBOWDDKSA-N.svg)
Methyl (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8a-(acetyloxymethyl)-8,9-dihydroxy-4-(hydroxymethyl)-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-hydroxy-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxane-2-carboxylate
CAS 254896-70-3C56H88O24
RefChem:1050000
CAS 11072-93-8C55H86O24
Clethroidoside A
CAS 1335200-64-0C47H78O17
Clethroidoside B
CAS 1335200-65-1C49H80O20
Escin, triethanolamine salt
CAS 102505-08-8C60H99NO26
- beta-EscinC55H86O24
- 1 suppliersalpha-Aescin66795-86-6C55H86O24
- Escin IV219944-22-6C52H82O24
- Escin V219944-26-0C54H86O24
- Escin VI219944-33-9C55H88O24
- Escin IIIb219944-09-9C55H86O23
- Raddeanoside 20335354-79-5C47H76O17
- beta-EscinC55H86O24
- Bayro vas77124-31-3C76H113NO29
- Orb31781481215281-16-5C47H76O17
- Isoaesculioside D1184581-59-6C58H90O24
- (2S,3S,4S,5R,6R)-6-[[(4S,6bS,8R,9R)-9-Acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acidC55H86O24
- Aesculioside DC58H90O24