ASPARAGOSIDE D

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C45H74O18
Molecular Weight	903.0583
Optical Activity	UNSPECIFIED
Defined Stereocenters	27 / 27
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@@]6(CC[C@H](C)CO6)O2)O[C@@H]7O[C@H](CO)[C@@H](O[C@H]8O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]8O)[C@H](O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@H]7O

InChI

InChIKey=DEXBUPZUMRUNGB-RWWRVRGXSA-N

InChI=1S/C45H74O18/c1-19-7-12-45(56-18-19)20(2)30-26(63-45)14-25-23-6-5-21-13-22(8-10-43(21,3)24(23)9-11-44(25,30)4)57-42-37(55)39(62-41-36(54)34(52)32(50)28(16-47)59-41)38(29(17-48)60-42)61-40-35(53)33(51)31(49)27(15-46)58-40/h19-42,46-55H,5-18H2,1-4H3/t19-,20-,21+,22-,23+,24-,25-,26-,27-,28+,29+,30-,31-,32+,33+,34-,35-,36+,37+,38+,39+,40+,41-,42+,43-,44-,45+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C45H74O18
Molecular Weight	903.0583
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	26 / 27
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:53:49 GMT 2023` Edited by `admin` on `Sat Dec 16 11:53:49 GMT 2023`
Record UNII	YZ4W74GYVH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ASPARAGOSIDE D

Common Name

English

.BETA.-D-GLUCOPYRANOSIDE, (3.BETA.,5.BETA.,25S)-SPIROSTAN-3-YL O-.BETA.-D-GLUCOPYRANOSYL-(1->3)-O-(.BETA.-D-GLUCOPYRANOSYL-(1->4))-

Systematic Name

English

Code System Code Type Description

PUBCHEM

119081343

Created by admin on Sat Dec 16 11:53:49 GMT 2023 , Edited by admin on Sat Dec 16 11:53:49 GMT 2023

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CAS

60267-24-5

Created by admin on Sat Dec 16 11:53:49 GMT 2023 , Edited by admin on Sat Dec 16 11:53:49 GMT 2023

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FDA UNII

YZ4W74GYVH

Created by admin on Sat Dec 16 11:53:49 GMT 2023 , Edited by admin on Sat Dec 16 11:53:49 GMT 2023

PRIMARY

EPA CompTox

DTXSID50975678

Created by admin on Sat Dec 16 11:53:49 GMT 2023 , Edited by admin on Sat Dec 16 11:53:49 GMT 2023

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