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

Details

Stereochemistry ABSOLUTE
Molecular Formula C27H32O13
Molecular Weight 564.5352
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALOINOSIDE A

SMILES

[H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@]2([H])C3=CC=CC(O)=C3C(=O)C4=C2C=C(CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)C=C4O

InChI

InChIKey=BUPDVJFRVYWYEV-PIVIZACJSA-N
InChI=1S/C27H32O13/c1-9-19(31)22(34)25(37)27(39-9)38-8-10-5-12-16(26-24(36)23(35)20(32)15(7-28)40-26)11-3-2-4-13(29)17(11)21(33)18(12)14(30)6-10/h2-6,9,15-16,19-20,22-32,34-37H,7-8H2,1H3/t9-,15+,16-,19-,20+,22+,23-,24+,25+,26-,27+/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H32O13
Molecular Weight 564.5352
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 11 / 11
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 07:57:51 GMT 2023
Edited
by admin
on Sat Dec 16 07:57:51 GMT 2023
Record UNII
LYY9W25GAJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ALOINOSIDE A
Common Name English
9(10H)-ANTHRACENONE, 3-(((6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)OXY)METHYL)-10-.BETA.-D-GLUCOPYRANOSYL-1,8-DIHYDROXY-, (10S)-
Systematic Name English
ALOINOSIDE
Common Name English
(10S)-3-(((6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)OXY)METHYL)-10-.BETA.-D-GLUCOPYRANOSYL-1,8-DIHYDROXY-9(10H)-ANTHRACENONE
Systematic Name English
(10S)-1,8-DIHYDROXY-10-((2S,3R,4R,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL)-3-(((2R,3R,4R,5R,6S)-3,4,5-TRIHYDROXY-6-METHYLOXAN-2-YL)OXYMETHYL)-10H-ANTHRACEN-9-ONE
Systematic Name English
Code System Code Type Description
PUBCHEM
46173997
Created by admin on Sat Dec 16 07:57:51 GMT 2023 , Edited by admin on Sat Dec 16 07:57:51 GMT 2023
PRIMARY
CAS
56645-88-6
Created by admin on Sat Dec 16 07:57:51 GMT 2023 , Edited by admin on Sat Dec 16 07:57:51 GMT 2023
PRIMARY
FDA UNII
LYY9W25GAJ
Created by admin on Sat Dec 16 07:57:51 GMT 2023 , Edited by admin on Sat Dec 16 07:57:51 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT