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Chemical structure of Regaloside K

GC69810

Regaloside K

Also known as [(2S)-3-hydroxy-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

Regaloside K (Compd 1) is a natural product that can be isolated from Easter Lily (Lilium longiflorum Thunb·)

ChemicalCAS138772-00-6MW416.38FormulaC18H24O11
CAS number
138772-00-6
Molecular weight
416.38
Formula
C18H24O11
InChIKey
FJDZFTLKTCOXAV-WDYFMUQCSA-N
Catalogue number
GC69810
Brand
GLPBIO
Computed properties PubChem CID 15101908 · XLogP -1.4 · TPSA 186 Ų · H-bond donors 7
XLogP
-1.4
TPSA
186 Ų
H-bond donors
7
H-bond acceptors
11
Rotatable bonds
9
Heavy atoms
29

SMILES C1=CC(=C(C=C1/C=C/C(=O)OC[C@H](CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O

Computed descriptors from PubChem (CID 15101908), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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