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Chemical structure of Regaloside C

GC61236

Regaloside C

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

Regaloside C is a glycerol glucoside isolated from the bulbs of?Lilium genus with anti-inflammatory activities

ChemicalCAS117591-85-2MW416.38FormulaC18H24O11
CAS number
117591-85-2
Molecular weight
416.38
Formula
C18H24O11
Solubility
DMSO ： 100 mg/mL (240·17 mM; Need ultrasonic)
InChIKey
DVLNCWXFKKSRQB-NSVVQGBUSA-N
Catalogue number
GC61236
Brand
GLPBIO
Computed properties PubChem CID 14135348 · 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[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O

Computed descriptors from PubChem (CID 14135348), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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