URALSAPONIN O

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C42H60O16
Molecular Weight	820.9162
Optical Activity	UNSPECIFIED
Defined Stereocenters	20 / 20
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@]12C[C@@H](OC1=O)[C@]3(C)CC[C@]4(C)C(=CC(=O)[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O[C@@H]8O[C@@H]([C@H](O)[C@H](O)[C@H]8O)C(O)=O)C(O)=O)C(C)(C)[C@@H]6CC[C@@]45C)[C@@H]3C2

InChI

InChIKey=ACCYCJOHUMRMMV-HUWKTHDESA-N

InChI=1S/C42H60O16/c1-37(2)20-8-11-42(7)31(19(43)14-17-18-15-38(3)16-22(55-36(38)53)39(18,4)12-13-41(17,42)6)40(20,5)10-9-21(37)54-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50/h14,18,20-31,34-35,44-48H,8-13,15-16H2,1-7H3,(H,49,50)(H,51,52)/t18-,20-,21-,22+,23-,24+,25-,26-,27+,28-,29-,30+,31+,34-,35+,38+,39+,40-,41+,42+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C42H60O16
Molecular Weight	820.9162
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	20 / 20
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:03:53 GMT 2025` Edited by `admin` on `Mon Mar 31 21:03:53 GMT 2025`
Record UNII	5AB6MJY2RS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3.BETA.-O-(.BETA.-D-GALACTURONOPYRANOSYL-(1->2)-.BETA.-DGLUCURONOPYRANOSYL)GLABROLIDE

Preferred Name

English

URALSAPONIN O

Common Name

English

(3.BETA.,20.BETA.,22.BETA.)-22,29-EPOXY-11,29-DIOXOOLEAN-12-EN-3-YL 2-O-.BETA.-D-GALACTOPYRANURONOSYL-.BETA.-D-GLUCOPYRANOSIDURONIC ACID

Systematic Name

English

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (3.BETA.,20.BETA.,22.BETA.)-22,29-EPOXY-11,29-DIOXOOLEAN-12-EN-3-YL 2-O-.BETA.-D-GALACTOPYRANURONOSYL-

Systematic Name

English

Code System Code Type Description

CAS

1616062-80-6

Created by admin on Mon Mar 31 21:03:53 GMT 2025 , Edited by admin on Mon Mar 31 21:03:53 GMT 2025

PRIMARY

PUBCHEM

163184198

Created by admin on Mon Mar 31 21:03:53 GMT 2025 , Edited by admin on Mon Mar 31 21:03:53 GMT 2025

PRIMARY

FDA UNII

5AB6MJY2RS

Created by admin on Mon Mar 31 21:03:53 GMT 2025 , Edited by admin on Mon Mar 31 21:03:53 GMT 2025

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.

Amount: