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Chemical structure of Vitexin2''-O-p-coumarate

GC37916

Vitexin2''-O-p-coumarate

Also known as [(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3-(4-hydroxyphenyl)prop-2-enoate

Vitexin2''-O-p-coumarate is isolated from fenugreek seeds

ChemicalCAS59282-55-2MW578.52FormulaC30H26O12
CAS number
59282-55-2
Molecular weight
578.52
Formula
C30H26O12
Solubility
Soluble in DMSO
InChIKey
FJGOEBQRHWKKJH-WWICZVFUSA-N
Catalogue number
GC37916
Brand
GLPBIO
Computed properties PubChem CID 131636807 · XLogP 2.5 · TPSA 203 Ų · H-bond donors 7
XLogP
2.5
TPSA
203 Ų
H-bond donors
7
H-bond acceptors
12
Rotatable bonds
7
Heavy atoms
42

SMILES C1=CC(=CC=C1C=CC(=O)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2C3=C(C=C(C4=C3OC(=CC4=O)C5=CC=C(C=C5)O)O)O)CO)O)O)O

Computed descriptors from PubChem (CID 131636807), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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