SARSAPARILLOSIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C57H96O28
Molecular Weight	1229.3553
Optical Activity	UNSPECIFIED
Defined Stereocenters	37 / 37
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=SUHZCFHVHYUSEP-UVSPAHOSSA-N

InChI=1S/C57H96O28/c1-21(19-75-50-43(69)40(66)36(62)30(16-58)79-50)8-13-57(74)22(2)34-29(85-57)15-28-26-7-6-24-14-25(9-11-55(24,4)27(26)10-12-56(28,34)5)78-54-49(84-53-46(72)42(68)38(64)32(18-60)81-53)47(73)48(83-52-45(71)39(65)35(61)23(3)77-52)33(82-54)20-76-51-44(70)41(67)37(63)31(17-59)80-51/h21-54,58-74H,6-20H2,1-5H3/t21-,22-,23-,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+,52-,53-,54+,55-,56-,57+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C57H96O28
Molecular Weight	1229.3553
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	36 / 37
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 00:10:56 GMT 2023` Edited by `admin` on `Sat Dec 16 00:10:56 GMT 2023`
Record UNII	U360IFF89W
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SARSAPARILLOSIDE

Common Name

English

.BETA.-D-GLUCOPYRANOSIDE, (3.BETA.,5.BETA.,22.ALPHA.,25S)-26-(.BETA.-D-GLUCOPYRANOSYLOXY)-22-HYDROXYFUROSTAN-3-YL O-6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->4)-O-(.BETA.-D-GLUCOPYRANOSYL-(1->2))-O-(.BETA.-D-GLUCOPYRANOSYL-(1->6))-

Systematic Name

English

Code System Code Type Description

PUBCHEM

441895

Created by admin on Sat Dec 16 00:10:56 GMT 2023 , Edited by admin on Sat Dec 16 00:10:56 GMT 2023

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FDA UNII

U360IFF89W

Created by admin on Sat Dec 16 00:10:56 GMT 2023 , Edited by admin on Sat Dec 16 00:10:56 GMT 2023

PRIMARY

EPA CompTox

DTXSID30331657

Created by admin on Sat Dec 16 00:10:56 GMT 2023 , Edited by admin on Sat Dec 16 00:10:56 GMT 2023

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CAS

24333-07-1

Created by admin on Sat Dec 16 00:10:56 GMT 2023 , Edited by admin on Sat Dec 16 00:10:56 GMT 2023

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