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Chemical structure of Cleistanthin B

GC64264

Cleistanthin B

Also known as 9-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3H-benzo[f][2]benzofuran-1-one

Cleistanthin B (Diphyllin O-glucoside) is an orally active arylnaphthalene lignan lactone glycoside

ChemicalCAS30021-77-3MW542.49FormulaC27H26O12
CAS number
30021-77-3
Molecular weight
542.49
Formula
C27H26O12
InChIKey
BJGIWVGXMRUMNA-WBYCZGBQSA-N
Catalogue number
GC64264
Brand
GLPBIO
Computed properties PubChem CID 119458 · XLogP 1.8 · TPSA 163 Ų · H-bond donors 4
XLogP
1.8
TPSA
163 Ų
H-bond donors
4
H-bond acceptors
12
Rotatable bonds
6
Heavy atoms
39

SMILES COC1=C(C=C2C(=C1)C(=C3C(=C2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)COC3=O)C5=CC6=C(C=C5)OCO6)OC

Computed descriptors from PubChem (CID 119458), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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