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Chemical structure of Robinin

GC60328

Robinin

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

Robinin is present in?flavonoid?fraction of?Vigna unguiculata?leaf

ChemicalCAS301-19-9MW740.66FormulaC33H40O19
CAS number
301-19-9
Molecular weight
740.66
Formula
C33H40O19
InChIKey
PEFASEPMJYRQBW-HKWQTAEVSA-N
Catalogue number
GC60328
Brand
GLPBIO
Computed properties PubChem CID 5281693 · XLogP -2.2 · TPSA 304 Ų · H-bond donors 11
XLogP
-2.2
TPSA
304 Ų
H-bond donors
11
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(OC4=CC(=CC(=C4C3=O)O)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)O)O)O)C6=CC=C(C=C6)O)O)O)O)O)O)O

Computed descriptors from PubChem (CID 5281693), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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