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Chemical structure of Regaloside B

GC61235

Regaloside B

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

Regaloside B is a phenylpropanoid isolated from Lilium longiflorum

ChemicalCAS114420-67-6MW442.41FormulaC20H26O11
CAS number
114420-67-6
Molecular weight
442.41
Formula
C20H26O11
Solubility
DMSO ： 100 mg/mL (226·03 mM; Need ultrasonic)
InChIKey
YQKQOLPNKNHLBO-KRJCNZRASA-N
Catalogue number
GC61235
Brand
GLPBIO
Computed properties PubChem CID 5459143 · XLogP -0.5 · TPSA 172 Ų · H-bond donors 5
XLogP
-0.5
TPSA
172 Ų
H-bond donors
5
H-bond acceptors
11
Rotatable bonds
11
Heavy atoms
31

SMILES CC(=O)OC[C@@H](COC(=O)/C=C/C1=CC=C(C=C1)O)OC2C(C(C(C(O2)CO)O)O)O

Computed descriptors from PubChem (CID 5459143), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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