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Chemical structure of Daphylloside

GC31939

Daphylloside

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

Daphylloside is an iridoid isolated from the aerial parts of Galium verum

ChemicalCAS14260-99-2MW446.4FormulaC19H26O12
CAS number
14260-99-2
Molecular weight
446.4
Formula
C19H26O12
Solubility
Soluble in DMSO
InChIKey
YSOBQIMODQOGKQ-HOZAMIDDSA-N
Catalogue number
GC31939
Brand
GLPBIO
Computed properties PubChem CID 21602024 · XLogP -2.9 · TPSA 181 Ų · H-bond donors 5
XLogP
-2.9
TPSA
181 Ų
H-bond donors
5
H-bond acceptors
12
Rotatable bonds
8
Heavy atoms
31

SMILES CC(=O)OCC1=C[C@@H]([C@H]2[C@@H]1[C@@H](OC=C2C(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O

Computed descriptors from PubChem (CID 21602024), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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