Palustroside

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Basic information

CAS: 26931-72-6
Standard SMILES: COc1ccc(-c2cc(=O)c3c(O)cc(OC4O[C@H](COC5OC[C@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1O
InChIKey: IXWDYBPIGZKUPJ-QVPFJZSDSA-N
Molecular formula: C27H30O15
Average molar mass: 594.5 g/mol
Monoisotopic mass: 594.15847025

Names & identifiers

Preferred name: Palustroside
IUPAC: 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one

Names & synonyms

Palustroside26931-72-6DTXSID109497144H-1-Benzopyran-4-one, 7-((6-O-alpha-L-arabinopyranosyl-beta-D glucopyranosyl)oxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-Benzopyran-4-one, 7-[(6-O-.alpha.-L-arabinopyranosyl-.beta.-D glucopyranosyl)oxy]-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-7-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(3R,4S,5S)-3,4,5-trihydroxytetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 6-O-L-arabinopyranosyl-D-glucopyranoside5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 6-O-pentopyranosylhexopyranoside

Database identifiers

CAS: 26931-72-6
PubChem CID: 5481245
DTXSID: DTXSID10949714

Properties

Computed structural properties

XLogP: -1.2
Topological polar surface area: 234 Å²
Hydrogen bond donors: 8
Hydrogen bond acceptors: 15
Rotatable bonds: 7
Heavy atoms: 42
Formal charge: 0
Complexity: 964

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Compound notes

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