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Chemical structure of Platycoside G1

GC36938

Platycoside G1

Also known as [(2S,3R,4S,5S)-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,10R,11S,12aR,14bS)-5,11-dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]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

Platycoside G1, a natural product found in Platycodon grandiflorum, is a triterpenoid saponin

ChemicalCAS849758-42-5MW1417.49FormulaC64H104O34
CAS number
849758-42-5
Molecular weight
1417.49
Formula
C64H104O34
Solubility
DMSO : 100 mg/mL (70·55 mM; Need ultrasonic)
InChIKey
UTBMWMLXRNXHHQ-ONYRRNLVSA-N
Catalogue number
GC36938
Brand
GLPBIO
Computed properties PubChem CID 70698289 · XLogP -6.8 · TPSA 553 Ų · H-bond donors 21
XLogP
-6.8
TPSA
553 Ų
H-bond donors
21
H-bond acceptors
34
Rotatable bonds
18
Heavy atoms
98

SMILES C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](CO[C@H]2OC(=O)[C@]34CCC(C[C@H]3C5=CC[C@H]6[C@]([C@@]5(C[C@H]4O)C)(CC[C@@H]7[C@@]6(C[C@@H]([C@@H](C7(CO)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)O)O)O)O)C)C)(C)C)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O

Computed descriptors from PubChem (CID 70698289), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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