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Chemical structure of Orcinol gentiobioside

GC38988

Orcinol gentiobioside

Also known as (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3-hydroxy-5-methylphenoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol

Orcinol gentiobioside (compound 4) is a natural product isolated from the rhizomes of C

ChemicalCAS164991-86-0MW448.42FormulaC19H28O12
CAS number
164991-86-0
Molecular weight
448.42
Formula
C19H28O12
Solubility
Soluble in DMSO
InChIKey
XZPNBJLXZMBECP-SKYGPZSASA-N
Catalogue number
GC38988
Brand
GLPBIO
Computed properties PubChem CID 10411370 · XLogP -2.4 · TPSA 199 Ų · H-bond donors 8
XLogP
-2.4
TPSA
199 Ų
H-bond donors
8
H-bond acceptors
12
Rotatable bonds
6
Heavy atoms
31

SMILES CC1=CC(=CC(=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O)O

Computed descriptors from PubChem (CID 10411370), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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