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Chemical structure of Comanthoside B

GC60722

Comanthoside B

Also known as (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid

Comanthoside B is a flavonoid glycoside isolated from the aerial portions of Ruellia tuberosa L

ChemicalCAS70938-60-2MW490.41FormulaC23H22O12
CAS number
70938-60-2
Molecular weight
490.41
Formula
C23H22O12
InChIKey
ZEKXCIHGJAZTEW-VLXBDIDVSA-N
Catalogue number
GC60722
Brand
GLPBIO
Computed properties PubChem CID 38362596 · XLogP 1.4 · TPSA 181 Ų · H-bond donors 5
XLogP
1.4
TPSA
181 Ų
H-bond donors
5
H-bond acceptors
12
Rotatable bonds
6
Heavy atoms
35

SMILES COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)OC)O

Computed descriptors from PubChem (CID 38362596), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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