URALSAPONIN S

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C48H74O20
Molecular Weight	971.0892
Optical Activity	( + )
Defined Stereocenters	25 / 25
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]8(O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)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@](C)([C@H](O)C[C@]7(C)CC[C@@]56C)C(O)=O)C3(C)C)C(O)=O)O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O

InChI

InChIKey=KLASAGYILRZOSA-LKPFLFONSA-N

InChI=1S/C48H74O20/c1-19-27(52)29(54)33(58)39(63-19)67-35-30(55)28(53)23(18-49)64-40(35)68-36-32(57)31(56)34(38(59)60)66-41(36)65-26-10-11-45(5)24(43(26,2)3)9-12-48(8)37(45)22(50)15-20-21-16-46(6,42(61)62)25(51)17-44(21,4)13-14-47(20,48)7/h15,19,21,23-37,39-41,49,51-58H,9-14,16-18H2,1-8H3,(H,59,60)(H,61,62)/t19-,21-,23+,24-,25+,26-,27-,28+,29+,30-,31-,32-,33+,34-,35+,36+,37+,39-,40-,41+,44-,45-,46+,47+,48+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C48H74O20
Molecular Weight	971.0892
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 01:54:51 UTC 2023` Edited by `admin` on `Sat Dec 16 01:54:51 UTC 2023`
Record UNII	C9HP2S2FTV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

URALSAPONIN S

Common Name

English

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (3.BETA.,20.BETA.,21.ALPHA.)-20-CARBOXY-21-HYDROXY-11-OXO-30-NOROLEAN-12-EN-3-YL O-6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->2)-O-.BETA.-D-GLUCOPYRANOSYL-(1->2)-

Common Name

English

3.BETA.-O-(.ALPHA.-LRHAMNOPYRANOSYL-(1->2)-.BETA.-D-GLUCOPYRANOSYL-(1->2)-.BETA.-D-GLUCURONOPYRANOSYL)-21.ALPHA.-HYDROXY-11-OXO-OLEAN-12-EN-30-OIC ACID

Common Name

English

Code System Code Type Description

CAS

1616062-84-0

Created by admin on Sat Dec 16 01:54:52 UTC 2023 , Edited by admin on Sat Dec 16 01:54:52 UTC 2023

PRIMARY

PUBCHEM

118707636

Created by admin on Sat Dec 16 01:54:52 UTC 2023 , Edited by admin on Sat Dec 16 01:54:52 UTC 2023

PRIMARY

FDA UNII

C9HP2S2FTV

Created by admin on Sat Dec 16 01:54:52 UTC 2023 , Edited by admin on Sat Dec 16 01:54:52 UTC 2023

PRIMARY

Related Record Type Details


					42B5YD8F0K

GLYCYRRHIZA URALENSIS ROOT

PARENT -> CONSTITUENT ALWAYS PRESENT

Comments:

Anti-H1N1 (IC50 in uM) activity of compound was shown to be 42.7 uM. 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: