Acetyl daidzin

HCID 102028680
Substructure searchFind similar structures

Basic information

Standard SMILES
COC[C@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)[C@H](O)[C@@H](O)[C@@H]1O
InChIKey
YPZQEVRAECOAPU-MIUGBVLSSA-N
Molecular formula
C22H22O9
Average molar mass
430.4 g/mol
Monoisotopic mass
430.12638228

Overview

Acetyl daidzin has been reported in Glycine max with data available.

Names & identifiers

Preferred name
Acetyl daidzin
IUPAC
3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(methoxymethyl)oxan-2-yl]oxychromen-4-one

Names & synonyms

acetyl daidzinYPZQEVRAECOAPU-MIUGBVLSSA-NDTXSID701362838

Database identifiers

PubChem CID
102028680
DTXSID
DTXSID701362838
Nikkaji
J2.669.423J

Properties

Computed structural properties

XLogP
0.7
Topological polar surface area
135 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
9
Rotatable bonds
5
Heavy atoms
31

Related reactions

1 records
New reaction record

Linked notes

Loading…