Chemical compound

Ptaquiloside

(2R,3aR,7S,7aR)-7-hydroxy-2,5,7-trimethyl-3a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[3,7a-dihydro-2H-indene-6,1'-cyclopropane]-1-one

C20H30O8

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SMILES

C[C@@H]1C[C@]2(C=C(C3(CC3)[C@@]([C@H]2C1=O)(C)O)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O

Properties

Formula
C20H30O8
Molecular weight
398.4 g/mol
PubChem CID
13962857
InChIKey
GPHSJPVUEZFIDE-YVPLJZHISA-N
XLogP
-1.3
TPSA
137 Ų
H-bond donors
5
H-bond acceptors
8

API access

/api/molecule?name=Ptaquiloside

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