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Chemical structure of Scutellarin-7-diglucosidic acid

GC69868

Scutellarin-7-diglucosidic acid

Also known as 6-[6-carboxy-2-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Scutellarin-7-diglucosidic acid is a natural flavonoid isolated from the purple leaves of Perilla ocimoides var· Crispa

ChemicalCAS150641-65-9MW638.48FormulaC27H26O18
CAS number
150641-65-9
Molecular weight
638.48
Formula
C27H26O18
Solubility
H2O : 6 mg/mL (9·40 mM; Need ultrasonic and warming)
InChIKey
IBLZNWWZRXJQAK-UHFFFAOYSA-N
Catalogue number
GC69868
Brand
GLPBIO
Computed properties PubChem CID 74977848 · XLogP -0.6 · TPSA 300 Ų · H-bond donors 10
XLogP
-0.6
TPSA
300 Ų
H-bond donors
10
H-bond acceptors
18
Rotatable bonds
7
Heavy atoms
45

SMILES C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)O)O)O

Computed descriptors from PubChem (CID 74977848), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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