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Chemical structure of Esculentoside H

GC36006

Esculentoside H

Also known as 2-O-methyl 4a-O-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2R,4aR,6aR,6aS,6bR,9R,10R,11S,12aR,14bR)-10-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-11-hydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylate

Thalidomide-O-PEG4-amine is a synthesized E3 ligase ligand-linker conjugate that incorporates the Thalidomide based cereblon ligand and a linker used in PROTAC technology

ChemicalCAS66656-92-6MW989.1FormulaC48H76O21
CAS number
66656-92-6
Molecular weight
989.1
Formula
C48H76O21
Solubility
Soluble in DMSO
InChIKey
UQCUBQIHIKJPHI-IEGHAIBGSA-N
Catalogue number
GC36006
Brand
GLPBIO
Computed properties PubChem CID 3035624 · XLogP -1 · TPSA 342 Ų · H-bond donors 12
XLogP
-1
TPSA
342 Ų
H-bond donors
12
H-bond acceptors
21
Rotatable bonds
12
Heavy atoms
69

SMILES C[C@]1(CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CCC5[C@@]4(C[C@@H]([C@@H]([C@@]5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H](CO6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)O)C)C)[C@H]2C1)C)C(=O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C(=O)OC

Computed descriptors from PubChem (CID 3035624), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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