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

Details

Stereochemistry ABSOLUTE
Molecular Formula C27H30O15.2H2O
Molecular Weight 630.5487
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SAPONARIN DIHYDRATE

SMILES

O.O.OC[C@H]1O[C@@H](OC2=C([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(O)=C4C(=O)C=C(OC4=C2)C5=CC=C(O)C=C5)[C@H](O)[C@@H](O)[C@@H]1O

InChI

InChIKey=ZAFQLXXCXLWNGI-IKKNXKRYSA-N
InChI=1S/C27H30O15.2H2O/c28-7-15-19(32)22(35)24(37)26(40-15)18-14(41-27-25(38)23(36)20(33)16(8-29)42-27)6-13-17(21(18)34)11(31)5-12(39-13)9-1-3-10(30)4-2-9;;/h1-6,15-16,19-20,22-30,32-38H,7-8H2;2*1H2/t15-,16-,19-,20-,22+,23+,24-,25-,26+,27-;;/m1../s1

HIDE SMILES / InChI

Approval Year

Name Type Language
SAPONARIN DIHYDRATE
Common Name English
4H-1-BENZOPYRAN-4-ONE, 6-.BETA.-D-GLUCOPYRANOSYL-7-(.BETA.-D-GLUCOPYRANOSYLOXY)-5-HYDROXY-2-(4-HYDROXYPHENYL)-, DIHYDRATE
Common Name English
Code System Code Type Description
FDA UNII
B3LI1S3ZJV
Created by admin on Sat Dec 16 00:59:56 UTC 2023 , Edited by admin on Sat Dec 16 00:59:56 UTC 2023
PRIMARY
PUBCHEM
71586942
Created by admin on Sat Dec 16 00:59:56 UTC 2023 , Edited by admin on Sat Dec 16 00:59:56 UTC 2023
PRIMARY
CAS
11019-01-5
Created by admin on Sat Dec 16 00:59:56 UTC 2023 , Edited by admin on Sat Dec 16 00:59:56 UTC 2023
PRIMARY
EPA CompTox
DTXSID00149165
Created by admin on Sat Dec 16 00:59:56 UTC 2023 , Edited by admin on Sat Dec 16 00:59:56 UTC 2023
PRIMARY