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Chemical structure of Achyranthoside D

GC62826

Achyranthoside D

Also known as 6-[[4,4,6a,6b,11,11,14b-heptamethyl-8a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[2-carboxy-1-(carboxymethoxy)-2-hydroxyethoxy]-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid

Achyranthoside D is a triterpene saponin from Achyranthes root

ChemicalCAS168009-91-4MW1119.2FormulaC53H82O25
CAS number
168009-91-4
Molecular weight
1119.2
Formula
C53H82O25
InChIKey
VYVPIFXAYNIMKK-UHFFFAOYSA-N
Catalogue number
GC62826
Brand
GLPBIO
Computed properties PubChem CID 85112371 · XLogP 1.8 · TPSA 405 Ų · H-bond donors 13
XLogP
1.8
TPSA
405 Ų
H-bond donors
13
H-bond acceptors
25
Rotatable bonds
17
Heavy atoms
78

SMILES CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC(C(C(=O)O)O)OCC(=O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C)C2C1)C)C(=O)OC8C(C(C(C(O8)CO)O)O)O)C

Computed descriptors from PubChem (CID 85112371), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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