Puddumin B

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Basic information

CAS: 28585-70-8
Standard SMILES: COc1ccc([C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc3O2)cc1
InChIKey: KEEWIHDTSNESJZ-HVIHEDKUSA-N
Molecular formula: C22H24O10
Average molar mass: 448.4 g/mol
Monoisotopic mass: 448.13694696

Names & identifiers

Preferred name: Puddumin B
IUPAC: (2S)-5-hydroxy-2-(4-methoxyphenyl)-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one

Names & synonyms

7-beta-D-GalactopyranosidePuddumin B28585-70-85-hydroxy-2-(4-methoxyphenyl)-7-((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-2,3-dihydrochromen-4-one5-hydroxy-2-(4-methoxyphenyl)-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-oneRefChem:177165SCHEMBL29508355DTXSID109512565-Hydroxy-2-(4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl hexopyranoside(2S)-5-Hydroxy-2-(4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl beta-D-galactopyranoside

Database identifiers

CAS: 28585-70-8
PubChem CID: 185644
DTXSID: DTXSID10951256

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 155 Å²
Hydrogen bond donors: 5
Hydrogen bond acceptors: 10
Rotatable bonds: 5
Heavy atoms: 32
Formal charge: 0
Complexity: 638

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Compound notes

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