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Chemical structure of Rehmannioside D

GC30374

Rehmannioside D

Also known as (2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[[(1S,4aS,5R,7aR)-5-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,7a-dihydro-1H-cyclopenta[c]pyran-4a-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Rehmannioside D is a carotenoid glycoside

ChemicalCAS81720-08-3MW686.61FormulaC27H42O20
CAS number
81720-08-3
Molecular weight
686.61
Formula
C27H42O20
Solubility
Water ： ≥ 130 mg/mL (189·34 mM)
InChIKey
JQEFRKPLHFKTFL-SNQOEBIKSA-N
Catalogue number
GC30374
Brand
GLPBIO
Computed properties PubChem CID 92044472 · XLogP -7.3 · TPSA 328 Ų · H-bond donors 13
XLogP
-7.3
TPSA
328 Ų
H-bond donors
13
H-bond acceptors
20
Rotatable bonds
10
Heavy atoms
47

SMILES C1=CO[C@H]([C@H]2[C@@]1([C@@H](C=C2CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O

Computed descriptors from PubChem (CID 92044472), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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