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Chemical structure of Quercetin 3-sophoroside-7-glucoside

GC69788

Quercetin 3-sophoroside-7-glucoside

Also listed as Quercetin-3-O-sophoroside-7-O-glucoside

Quercetin-3-O-sophoroside-7-O-glucoside is a natural product that can be isolated from the leaves of Brasica rapa var· rapa

ChemicalCAS42903-93-5MW788.66FormulaC33H40O22
CAS number
42903-93-5
Molecular weight
788.66
Formula
C33H40O22
InChIKey
MSUZWPXKWROYDK-JGPRCQAHSA-N
Catalogue number
GC69788
Brand
GLPBIO
Computed properties PubChem CID 12960456 · XLogP -3 · TPSA 365 Ų · H-bond donors 14
XLogP
-3
TPSA
365 Ų
H-bond donors
14
H-bond acceptors
22
Rotatable bonds
10
Heavy atoms
55

SMILES C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O

Computed descriptors from PubChem (CID 12960456), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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