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Chemical structure of Sophorabioside

GC61283

Sophorabioside

Also known as 3-[4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxyphenyl]-5,7-dihydroxychromen-4-one

Sophorabioside is a flavonoid-glycoside isolated from Sophora japonica

ChemicalCAS2945-88-2MW578.52FormulaC27H30O14
CAS number
2945-88-2
Molecular weight
578.52
Formula
C27H30O14
Solubility
DMSO ： 50 mg/mL (86·43 mM; Need ultrasonic)
InChIKey
SNJVNAXLTOIYQN-XQCQZFFBSA-N
Catalogue number
GC61283
Brand
GLPBIO
Computed properties PubChem CID 11968944 · XLogP -0.2 · TPSA 225 Ų · H-bond donors 8
XLogP
-0.2
TPSA
225 Ų
H-bond donors
8
H-bond acceptors
14
Rotatable bonds
6
Heavy atoms
41

SMILES C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC=C(C=C3)C4=COC5=CC(=CC(=C5C4=O)O)O)CO)O)O)O)O)O

Computed descriptors from PubChem (CID 11968944), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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