Pteroside P

(2S)-5-(hydroxymethyl)-2,7-dimethyl-6-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-2,3-dihydroinden-1-one

Also Known As: Pteroside P|(2S)-5-(hydroxymethyl)-2,7-dimethyl-6-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-2,3-dihydroinden-1-one|(S)-6-(2-(beta-D-Glucopyranosyloxy)ethyl)-2,3-dihydro-5-(hydroxymethyl)-2,7-dimethyl-1H-inden-1-one|1H-Inden-1-one, 6-(2-(beta-D-glucopyranosyloxy)ethyl)-2,3-dihydro-5-(hydroxymethyl)-2,7-dimethyl-, (S)-|2-[6-(Hydroxymethyl)-2,4-dimethyl-3-oxo-2,3-dihydro-1H-inden-5-yl]ethyl hexopyranoside|(2S)-5-(hydroxymethyl)-2,7-dimethyl-6-(2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)-2,3-dihydro-1H-inden-1-one|(S)-6-[2-(beta-D-Glucopyranosyloxy)ethyl]-2,3-dihydro-5-hydroxymethyl-2,7-dimethyl-1H-inden-1-one|1H-Inden-1-one, 6-[2-(.beta.-D-glucopyranosyloxy)ethyl]-2,3-dihydro-5-(hydroxymethyl)-2,7-dimethyl-, (S)-|2-[(2S)-6-(hydroxymethyl)-2,4-dimethyl-3-oxo-2,3-dihydro-1H-inden-5-yl]ethyl beta-D-glucopyranoside

Molecular Formula	C20H28O8
Molecular Weight	396.1784 g/mol
LogP	-0.3
Topological Polar Surface Area	137.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	8
Rotatable Bonds	6
Exact Mass	396.1784
Monoisotopic Mass	396.1784
Heavy Atoms	28
Complexity	542.0

Chemical Identifiers

CAS Number	54854-88-5
SMILES	C[C@H]1CC2=CC(=C(C(=C2C1=O)C)CCO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CO
InChIKey	MTMPFCKKJBWSKK-CLRHFXFDSA-N