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Chemical structure of Tinnevellin glucoside

GC39025

Tinnevellin glucoside

Also known as 1-[1-hydroxy-8-methoxy-3-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalen-2-yl]ethanone

Tinnevellin glucoside, a naphthalene glycoside, isolated from Cassia senna leaves and pods

ChemicalCAS80358-06-1MW408.4FormulaC20H24O9
CAS number
80358-06-1
Molecular weight
408.4
Formula
C20H24O9
Solubility
Soluble in DMSO
InChIKey
FEZDDTIDMGTSLT-CZNQJBLBSA-N
Catalogue number
GC39025
Brand
GLPBIO
Computed properties PubChem CID 157631 · XLogP 1.2 · TPSA 146 Ų · H-bond donors 5
XLogP
1.2
TPSA
146 Ų
H-bond donors
5
H-bond acceptors
9
Rotatable bonds
5
Heavy atoms
29

SMILES CC1=CC2=CC(=CC(=C2C(=C1C(=O)C)O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O

Computed descriptors from PubChem (CID 157631), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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