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

Details

Stereochemistry ABSOLUTE
Molecular Formula C51H82O21
Molecular Weight 1031.1842
Optical Activity UNSPECIFIED
Defined Stereocenters 29 / 29
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PSEUDOPROTODIOSCIN

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](C)[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=MDCUMTGKKLOMCW-XNVNDPJESA-N
InChI=1S/C51H82O21/c1-20(19-64-46-40(60)39(59)36(56)31(17-52)69-46)7-10-29-21(2)33-30(68-29)16-28-26-9-8-24-15-25(11-13-50(24,5)27(26)12-14-51(28,33)6)67-49-45(72-48-42(62)38(58)35(55)23(4)66-48)43(63)44(32(18-53)70-49)71-47-41(61)37(57)34(54)22(3)65-47/h8,20,22-23,25-28,30-49,52-63H,7,9-19H2,1-6H3/t20-,22+,23+,25+,26-,27+,28+,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
PSEUDOPROTODIOSCIN
Common Name English
OLIGOFUROSTANOSIDE 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-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->4))-.BETA.-D-GLUCOPYRANOSIDE
Common 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-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->4))-
Common Name English
Code System Code Type Description
CAS
102115-79-7
Created by admin on Sat Dec 16 14:21:11 GMT 2023 , Edited by admin on Sat Dec 16 14:21:11 GMT 2023
PRIMARY
EPA CompTox
DTXSID101315996
Created by admin on Sat Dec 16 14:21:11 GMT 2023 , Edited by admin on Sat Dec 16 14:21:11 GMT 2023
PRIMARY
PUBCHEM
21637110
Created by admin on Sat Dec 16 14:21:11 GMT 2023 , Edited by admin on Sat Dec 16 14:21:11 GMT 2023
PRIMARY
FDA UNII
CB4XAC5WHS
Created by admin on Sat Dec 16 14:21:11 GMT 2023 , Edited by admin on Sat Dec 16 14:21:11 GMT 2023
PRIMARY