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 29 / 29
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HUANGJIANGSU A

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(C)=C(CC[C@@H](C)CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)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@H]8O)[C@H](O)[C@H]7O[C@]9([H])O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O

InChI

InChIKey=FTNRXHIYUXAZFP-JNHRZEBYSA-N
InChI=1S/C51H82O22/c1-20(19-65-46-40(61)38(59)35(56)30(16-52)69-46)6-9-28-21(2)33-29(68-28)15-27-25-8-7-23-14-24(10-12-50(23,4)26(25)11-13-51(27,33)5)67-49-45(73-47-41(62)37(58)34(55)22(3)66-47)43(64)44(32(18-54)71-49)72-48-42(63)39(60)36(57)31(17-53)70-48/h7,20,22,24-27,29-49,52-64H,6,8-19H2,1-5H3/t20-,22+,24+,25-,26+,27+,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

Molecular Formula C51H82O22
Molecular Weight 1047.1836
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 29 / 29
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:38:44 GMT 2023
Edited
by admin
on Sat Dec 16 14:38:44 GMT 2023
Record UNII
I2UTW331KU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HUANGJIANGSU A
Common Name English
(3.BETA.,25R)-26-(.BETA.-D-GLUCOPYRANOSYLOXY)FUROSTA-5,20(22)-DIEN-3-YL O-6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->2)-O-(.BETA.-D-GLUCOPYRANOSYL-(1->4))-.BETA.-D-GLUCOPYRANOSIDE
Systematic Name English
.BETA.-D-GLUCOPYRANOSIDE, (3.BETA.,25R)-26-(.BETA.-D-GLUCOPYRANOSYLOXY)FUROSTA-5,20(22)-DIEN-3-YL O-6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->2)-O-(.BETA.-D-GLUCOPYRANOSYL-(1->4))-
Systematic Name English
HJS A
Common Name English
Code System Code Type Description
CAS
1026020-27-8
Created by admin on Sat Dec 16 14:38:44 GMT 2023 , Edited by admin on Sat Dec 16 14:38:44 GMT 2023
PRIMARY
FDA UNII
I2UTW331KU
Created by admin on Sat Dec 16 14:38:44 GMT 2023 , Edited by admin on Sat Dec 16 14:38:44 GMT 2023
PRIMARY
PUBCHEM
134687322
Created by admin on Sat Dec 16 14:38:44 GMT 2023 , Edited by admin on Sat Dec 16 14:38:44 GMT 2023
PRIMARY