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

Details

Stereochemistry ABSOLUTE
Molecular Formula C51H82O22
Molecular Weight 1047.1836
Optical Activity UNSPECIFIED
Defined Stereocenters 31 / 31
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ZINGIBERENSIS SAPONIN I

SMILES

[H][C@]12C[C@@]3([H])[C@]4([H])CC=C5C[C@H](CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]6(CC[C@@H](C)CO6)O2)O[C@]7([H])O[C@H](CO)[C@@H](O[C@]8([H])O[C@H](CO)[C@@H](O)[C@H](O[C@]9([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@H]8O)[C@H](O)[C@H]7O[C@]%10([H])O[C@@H](C)[C@H](O)[C@@H](O)[C@H]%10O

InChI

InChIKey=XJOTXMLDNWCDRH-HAUZKCKMSA-N
InChI=1S/C51H82O22/c1-20-8-13-51(64-19-20)21(2)32-28(73-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)66-48-44(72-45-38(60)36(58)33(55)22(3)65-45)40(62)42(31(18-54)69-48)70-47-41(63)43(35(57)30(17-53)68-47)71-46-39(61)37(59)34(56)29(16-52)67-46/h6,20-22,24-48,52-63H,7-19H2,1-5H3/t20-,21+,22+,24+,25-,26+,27+,28+,29-,30-,31-,32+,33+,34-,35-,36-,37+,38-,39-,40+,41-,42-,43+,44-,45+,46+,47+,48-,49+,50+,51-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ZINGIBERENSIS SAPONIN I
Common Name English
ZINGIBERENIS NEWSAPONIN
Common Name English
ZINGIBEREN NEWSAPONIN
Common Name English
3-O-.BETA.-D-GLUCOPYRANOSYL(1->3)-.BETA.-D-GLUCOPYRANOSYL(1->4)-(.ALPHA.-L-RHAMNOPYRANOSYL(1->2))-.BETA.-D-GLUCOPYRANOSIDE-DIOSGENIN
Common Name English
ZINGIBERENSIS NEWSAPONIN
Common Name English
.BETA.-D-GLUCOPYRANOSIDE, (3.BETA.,25R)-SPIROST-5-EN-3-YL O-.BETA.-D-GLUCOPYRANOSYL-(1->3)-O-.BETA.-D-GLUCOPYRANOSYL-(1->4)-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->2))-
Systematic Name English
Code System Code Type Description
FDA UNII
N7TJ111YCJ
Created by admin on Sat Dec 16 14:30:43 GMT 2023 , Edited by admin on Sat Dec 16 14:30:43 GMT 2023
PRIMARY
CAS
91653-50-8
Created by admin on Sat Dec 16 14:30:43 GMT 2023 , Edited by admin on Sat Dec 16 14:30:43 GMT 2023
PRIMARY
EPA CompTox
DTXSID00919608
Created by admin on Sat Dec 16 14:30:43 GMT 2023 , Edited by admin on Sat Dec 16 14:30:43 GMT 2023
PRIMARY
PUBCHEM
102475150
Created by admin on Sat Dec 16 14:30:43 GMT 2023 , Edited by admin on Sat Dec 16 14:30:43 GMT 2023
PRIMARY