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Chemical structure of Isovitexin 7-O-rutinoside

GC76295

Isovitexin 7-O-rutinoside

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

Isovitexin 7-O-rutinoside is an anti-inflammatory agent that can be isolated from the Mongolian anti-hepatic plant Dianthus versicolor

ChemicalCAS212271-10-8MW740.66FormulaC33H40O19
CAS number
212271-10-8
Molecular weight
740.66
Formula
C33H40O19
InChIKey
NNYHNEAOUNHIFX-PNHWEWGQSA-N
Catalogue number
GC76295
Brand
GLPBIO
Computed properties PubChem CID 100928185 · XLogP -3.2 · TPSA 315 Ų · H-bond donors 12
XLogP
-3.2
TPSA
315 Ų
H-bond donors
12
H-bond acceptors
19
Rotatable bonds
8
Heavy atoms
52

SMILES C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(C(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O)O)O)O

Computed descriptors from PubChem (CID 100928185), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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