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Chemical structure of Platycodin D3

GC36937

Platycodin D3

Also known as [3-[5-[4-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] 5,11-dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-10-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

Platycodin D3 is a triterpenoid saponin isolated from Platycodon grandiflorum, with anti-HCV activity

ChemicalCAS67884-03-1MW1387.46FormulaC63H102O33
CAS number
67884-03-1
Molecular weight
1387.46
Formula
C63H102O33
Solubility
DMSO ： 100 mg/mL (72·07 mM; Need ultrasonic)
InChIKey
XHKCYIRZWRRXNG-UHFFFAOYSA-N
Catalogue number
GC36937
Brand
GLPBIO
Computed properties PubChem CID 75251137 · XLogP -5.9 · TPSA 532 Ų · H-bond donors 20
XLogP
-5.9
TPSA
532 Ų
H-bond donors
20
H-bond acceptors
33
Rotatable bonds
18
Heavy atoms
96

SMILES CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C(C5(CC4O)C)(CCC7C6(CC(C(C7(CO)CO)OC8C(C(C(C(O8)COC9C(C(C(C(O9)CO)O)O)O)O)O)O)O)C)C)(C)C)O)O)O)O)OC1C(C(C(CO1)O)OC1C(C(CO1)(CO)O)O)O

Computed descriptors from PubChem (CID 75251137), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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