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Chemical structure of 6'-O-beta-D-Glucosylgentiopicroside

GC35182

6'-O-beta-D-Glucosylgentiopicroside

Also known as (3S,4R)-4-ethenyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-4,6-dihydro-3H-pyrano[3,4-c]pyran-8-one

6'-O-beta-D-Glucosylgentiopicroside is a secoiridoid isolated from the roots of G

ChemicalCAS115713-06-9MW518.47FormulaC22H30O14
CAS number
115713-06-9
Molecular weight
518.47
Formula
C22H30O14
Solubility
DMSO ： 100 mg/mL (192·88 mM; Need ultrasonic)
InChIKey
BERNCPGDRADLCG-KEXDUYRESA-N
Catalogue number
GC35182
Brand
GLPBIO
Computed properties PubChem CID 10864232 · XLogP -3.4 · TPSA 214 Ų · H-bond donors 7
XLogP
-3.4
TPSA
214 Ų
H-bond donors
7
H-bond acceptors
14
Rotatable bonds
7
Heavy atoms
36

SMILES C=C[C@H]1[C@@H](OC=C2C1=CCOC2=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O

Computed descriptors from PubChem (CID 10864232), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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