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Chemical structure of Isosaponarin

GC60210

Isosaponarin

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

Isosaponarin is a flavone glycoside isolated from wasabi leaves

ChemicalCAS19416-87-6MW594.52FormulaC27H30O15
CAS number
19416-87-6
Molecular weight
594.52
Formula
C27H30O15
InChIKey
SFNFQCXADNWOCI-KETMJRJWSA-N
Catalogue number
GC60210
Brand
GLPBIO
Computed properties PubChem CID 154105 · XLogP -1.6 · TPSA 256 Ų · H-bond donors 10
XLogP
-1.6
TPSA
256 Ų
H-bond donors
10
H-bond acceptors
15
Rotatable bonds
6
Heavy atoms
42

SMILES C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)[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

Computed descriptors from PubChem (CID 154105), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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