URALSAPONIN Y

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C48H70O20
Molecular Weight	967.0574
Optical Activity	UNSPECIFIED
Defined Stereocenters	25 / 25
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]9(O[C@@H]1[C@@H](O)[C@H](O)[C@H](O[C@@]1([H])O[C@@H]2[C@@H](O)[C@H](O)[C@H](O[C@@]2([H])O[C@H]3CC[C@@]4(C)[C@@]([H])(CC[C@]5(C)[C@]4([H])C(=O)C=C6[C@]7([H])C[C@]8(C)C[C@@H](OC8=O)[C@]7(C)CC[C@@]56C)C3(C)C)C(O)=O)C(O)=O)O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O

InChI

InChIKey=SSBMWWLCFVHYNK-XAAGFIOPSA-N

InChI=1S/C48H70O20/c1-18-25(50)26(51)31(56)39(62-18)67-35-30(55)28(53)33(38(59)60)66-41(35)68-34-29(54)27(52)32(37(57)58)65-40(34)63-23-10-11-46(6)22(43(23,2)3)9-12-48(8)36(46)21(49)15-19-20-16-44(4)17-24(64-42(44)61)45(20,5)13-14-47(19,48)7/h15,18,20,22-36,39-41,50-56H,9-14,16-17H2,1-8H3,(H,57,58)(H,59,60)/t18-,20-,22-,23-,24+,25-,26+,27-,28-,29-,30-,31+,32-,33-,34+,35+,36+,39-,40+,41-,44+,45+,46-,47+,48+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C48H70O20
Molecular Weight	967.0574
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	25 / 25
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:06:12 UTC 2023` Edited by `admin` on `Sat Dec 16 08:06:12 UTC 2023`
Record UNII	2BU15C47BB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

URALSAPONIN Y

Common Name

English

3.BETA.-O-(.ALPHA.-LRHAMNOPYRANOSYL-(1->2)-.BETA.-D-GLUCURONOPYRANOSYL-(1->2)-.BETA.-DGLUCURONOPYRANOSYL)GLABROLIDE

Common Name

English

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (3.BETA.,20.BETA.,22.BETA.)-22,29-EPOXY-11,29-DIOXOOLEAN-12-EN-3-YL O-6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->2)-O-.BETA.-D-GLUCOPYRANURONOSYL-(1->2)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

86278367

Created by admin on Sat Dec 16 08:06:12 UTC 2023 , Edited by admin on Sat Dec 16 08:06:12 UTC 2023

PRIMARY

FDA UNII

2BU15C47BB

Created by admin on Sat Dec 16 08:06:12 UTC 2023 , Edited by admin on Sat Dec 16 08:06:12 UTC 2023

PRIMARY

CAS

1616062-90-8

Created by admin on Sat Dec 16 08:06:12 UTC 2023 , Edited by admin on Sat Dec 16 08:06:12 UTC 2023

PRIMARY

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Comments:

The compound did not show significant cytotoxicity against uninfected MDCK cells at 100 uM, but showed inhibitory activity against the H1N1 virus at 100 uM. The compound was also evaluated for anti-HIV activity.