U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C28H33O16
Molecular Weight 625.552
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of Peonidin 3,5-diglucoside

SMILES

COC1=CC(=CC=C1O)C2=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C4C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)=CC(O)=CC4=[O+]2

InChI

InChIKey=IPVSUYLZIAYTOK-DPOJTEBASA-O
InChI=1S/C28H32O16/c1-39-16-4-10(2-3-13(16)32)26-17(42-28-25(38)23(36)21(34)19(9-30)44-28)7-12-14(40-26)5-11(31)6-15(12)41-27-24(37)22(35)20(33)18(8-29)43-27/h2-7,18-25,27-30,33-38H,8-9H2,1H3,(H-,31,32)/p+1/t18-,19-,20-,21-,22+,23+,24-,25-,27-,28-/m1/s1

HIDE SMILES / InChI

Molecular Formula C28H33O16
Molecular Weight 625.552
Charge 1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 18:50:49 GMT 2025
Edited
by admin
on Wed Apr 02 18:50:49 GMT 2025
Record UNII
L78DM2EW8J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Peonidin 3,5-diglucoside
Common Name English
Peonidin 3,5-di-O-glucoside
Preferred Name English
1-Benzopyrylium, 3,5-bis(?-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-
Systematic Name English
3,5-Bis(?-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium
Systematic Name English
Code System Code Type Description
PUBCHEM
5488811
Created by admin on Wed Apr 02 18:50:49 GMT 2025 , Edited by admin on Wed Apr 02 18:50:49 GMT 2025
PRIMARY
CAS
47851-83-2
Created by admin on Wed Apr 02 18:50:49 GMT 2025 , Edited by admin on Wed Apr 02 18:50:49 GMT 2025
PRIMARY
FDA UNII
L78DM2EW8J
Created by admin on Wed Apr 02 18:50:49 GMT 2025 , Edited by admin on Wed Apr 02 18:50:49 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
IONIC MOIETY