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Chemical structure of Quercetin 3-O-sophoroside-7-O-rhamnoside

GC64679

Quercetin 3-O-sophoroside-7-O-rhamnoside

Also known as 3-[(3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(3R,4R,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one

Quercetin 3-O-sophoroside-7-O-rhamnoside is a flavonoid found in sea buckthorn berries

ChemicalCAS64828-40-6MW772.66FormulaC33H40O21
CAS number
64828-40-6
Molecular weight
772.66
Formula
C33H40O21
InChIKey
CAXLTZYEJPQCKD-YPCBRAGTSA-N
Catalogue number
GC64679
Brand
GLPBIO
Computed properties PubChem CID 165362388 · XLogP -2.5 · TPSA 345 Ų · H-bond donors 13
XLogP
-2.5
TPSA
345 Ų
H-bond donors
13
H-bond acceptors
21
Rotatable bonds
9
Heavy atoms
54

SMILES CC1[C@@H]([C@H]([C@H](C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)OC5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C6=CC(=C(C=C6)O)O)O)O)O)O

Computed descriptors from PubChem (CID 165362388), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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