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Chemical structure of Neodiosmin

GC62549

Neodiosmin

Also known as 7-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one

Neodiosmin is a flavone glycoside isolated from the leaves of Citrus aurantium

ChemicalCAS38665-01-9MW608.54FormulaC28H32O15
CAS number
38665-01-9
Molecular weight
608.54
Formula
C28H32O15
Solubility
DMSO ： 250 mg/mL (410·82 mM; Need ultrasonic)
InChIKey
VCCNKWWXYVWTLT-UHFFFAOYSA-N
Catalogue number
GC62549
Brand
GLPBIO
Computed properties PubChem CID 14310763 · XLogP -0.3 · TPSA 234 Ų · H-bond donors 8
XLogP
-0.3
TPSA
234 Ų
H-bond donors
8
H-bond acceptors
15
Rotatable bonds
7
Heavy atoms
43

SMILES CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)CO)O)O)O)O)O

Computed descriptors from PubChem (CID 14310763), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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