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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H22O10
Molecular Weight 446.4041
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CALYCOSIN 7-O-.BETA.-D-GLUCOSIDE

SMILES

COC1=C(O)C=C(C=C1)C2=COC3=C(C=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C3)C2=O

InChI

InChIKey=WACBUPFEGWUGPB-MIUGBVLSSA-N
InChI=1S/C22H22O10/c1-29-15-5-2-10(6-14(15)24)13-9-30-16-7-11(3-4-12(16)18(13)25)31-22-21(28)20(27)19(26)17(8-23)32-22/h2-7,9,17,19-24,26-28H,8H2,1H3/t17-,19-,20+,21-,22-/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H22O10
Molecular Weight 446.4041
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 20:15:41 UTC 2023
Edited
by admin
on Fri Dec 15 20:15:41 UTC 2023
Record UNII
247AW3A88C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CALYCOSIN 7-O-.BETA.-D-GLUCOSIDE
Common Name English
CALYCOSIN-7-O-.BETA.-D-GLUCOPYRANOSIDE
Common Name English
CALYCOSIN 7-O-GLUCOSIDE
Common Name English
CALYCOSIN 7-.BETA.-D-GLUCOPYRANOSIDE
Common Name English
CALYCOSIN 7-O-GLUCOPYRANOSIDE
Common Name English
ISOFLAVONE, 3',7-DIHYDROXY-4'-METHOXY-, 7-.BETA.-D-GLUCOPYRANOSIDE
Common Name English
CALYCOSIN 7-O-BETA-D-GLUCOPYRANOSIDE [USP-RS]
Common Name English
4H-1-BENZOPYRAN-4-ONE, 7-(.BETA.-D-GLUCOPYRANOSYLOXY)-3-(3-HYDROXY-4-METHOXYPHENYL)-
Common Name English
CALYCOSIN 7-O-GLUCOPYRANOSIDE (CONSTITUENT OF ASTRAGALUS) [DSC]
Common Name English
7,3'-DIHYDROXY-4'-METHOXYISOFLAVONE-7-O-.BETA.-D-GLUCOSIDE
Common Name English
CALYCOSIN 7-O-BETA-D-GLUCOPYRANOSIDE
USP-RS  
Common Name English
3',7-DIHYDROXY-4'-METHOXYISOFLAVONE-7-.BETA.-D-GLUCOPYRANOSIDE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID40856144
Created by admin on Fri Dec 15 20:15:41 UTC 2023 , Edited by admin on Fri Dec 15 20:15:41 UTC 2023
PRIMARY
FDA UNII
247AW3A88C
Created by admin on Fri Dec 15 20:15:41 UTC 2023 , Edited by admin on Fri Dec 15 20:15:41 UTC 2023
PRIMARY
RS_ITEM_NUM
1087483
Created by admin on Fri Dec 15 20:15:41 UTC 2023 , Edited by admin on Fri Dec 15 20:15:41 UTC 2023
PRIMARY
CAS
20633-67-4
Created by admin on Fri Dec 15 20:15:41 UTC 2023 , Edited by admin on Fri Dec 15 20:15:41 UTC 2023
PRIMARY
PUBCHEM
5318267
Created by admin on Fri Dec 15 20:15:41 UTC 2023 , Edited by admin on Fri Dec 15 20:15:41 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT
NLT 0.02%
USP
Related Record Type Details
ACTIVE MOIETY