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Chemical structure of Theviridoside

GC30659

Theviridoside

Also known as methyl (1S,4aR,7aR)-4a-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylate

Theviridoside is a natural iridoid glucoside found in the leaves of Cerbera odollam, it has cytotoxicity

ChemicalCAS23407-76-3MW404.37FormulaC17H24O11
CAS number
23407-76-3
Molecular weight
404.37
Formula
C17H24O11
Solubility
Soluble in DMSO
InChIKey
LDBMLOLBWUOZGG-DOFVRBEMSA-N
Catalogue number
GC30659
Brand
GLPBIO
Computed properties PubChem CID 179396 · XLogP -2.9 · TPSA 175 Ų · H-bond donors 6
XLogP
-2.9
TPSA
175 Ų
H-bond donors
6
H-bond acceptors
11
Rotatable bonds
6
Heavy atoms
28

SMILES COC(=O)C1=CO[C@H]([C@H]2[C@@]1(CC=C2CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O

Computed descriptors from PubChem (CID 179396), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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