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Chemical structure of Rehmannioside C

GC60318

Rehmannioside C

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

Rehmannioside C is an iridoid glucoside isolated from Radix Rehmanniae Praeparata

ChemicalCAS81720-07-2MW510.49FormulaC21H34O14
CAS number
81720-07-2
Molecular weight
510.49
Formula
C21H34O14
Solubility
DMSO ： 100 mg/mL (195·89 mM; Need ultrasonic)
InChIKey
MITBZAODGSBUIS-YSCABPIUSA-N
Catalogue number
GC60318
Brand
GLPBIO
Computed properties PubChem CID 125181686 · XLogP -3.8 · TPSA 228 Ų · H-bond donors 9
XLogP
-3.8
TPSA
228 Ų
H-bond donors
9
H-bond acceptors
14
Rotatable bonds
6
Heavy atoms
35

SMILES C[C@@]1(C[C@H]([C@H]2[C@@H]1[C@@H](OC=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O

Computed descriptors from PubChem (CID 125181686), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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