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Chemical structure of Androsin

GC35342

Androsin

Also known as 1-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone

Androsin is an active compound isolated from Picrorhiza Kurroa Royle ex Benth, with anti-asthmatic effects

ChemicalCAS531-28-2MW328.31FormulaC15H20O8
CAS number
531-28-2
Molecular weight
328.31
Formula
C15H20O8
Solubility
DMSO ： 125 mg/mL (380·74 mM; Need ultrasonic)
InChIKey
QUOZWMJFTQUXON-UXXRCYHCSA-N
Catalogue number
GC35342
Brand
GLPBIO
Computed properties PubChem CID 164648 · XLogP -1.4 · TPSA 126 Ų · H-bond donors 4
XLogP
-1.4
TPSA
126 Ų
H-bond donors
4
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
23

SMILES CC(=O)C1=CC(=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OC

Computed descriptors from PubChem (CID 164648), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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