URALSAPONIN Q

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C47H72O19
Molecular Weight	941.0632
Optical Activity	UNSPECIFIED
Defined Stereocenters	24 / 24
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)CO[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=OEFZCYUPYXIEHQ-JSJGBFBWSA-N

InChI=1S/C47H72O19/c1-19-27(51)29(53)32(56)38(62-19)65-34-28(52)23(49)18-61-39(34)66-35-31(55)30(54)33(37(57)58)64-40(35)63-26-10-11-44(5)24(42(26,2)3)9-12-47(8)36(44)22(48)15-20-21-16-45(6,41(59)60)25(50)17-43(21,4)13-14-46(20,47)7/h15,19,21,23-36,38-40,49-56H,9-14,16-18H2,1-8H3,(H,57,58)(H,59,60)/t19-,21-,23+,24-,25+,26-,27-,28-,29+,30-,31-,32+,33-,34+,35+,36+,38-,39-,40+,43-,44-,45+,46+,47+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C47H72O19
Molecular Weight	941.0632
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	24 / 24
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 01:54:27 GMT 2023` Edited by `admin` on `Sat Dec 16 01:54:27 GMT 2023`
Record UNII	NS2DFK8U3Y
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

URALSAPONIN Q

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-XYLOPYRANOSYL-(1->2)-

Systematic Name

English

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

Common Name

English

(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-XYLOPYRANOSYL-(1->2)-.BETA.-D-GLUCOPYRANOSIDURONIC ACID

Systematic Name

English

Code System Code Type Description

FDA UNII

NS2DFK8U3Y

Created by admin on Sat Dec 16 01:54:27 GMT 2023 , Edited by admin on Sat Dec 16 01:54:27 GMT 2023

PRIMARY

CAS

1616062-82-8

Created by admin on Sat Dec 16 01:54:27 GMT 2023 , Edited by admin on Sat Dec 16 01:54:27 GMT 2023

PRIMARY

PUBCHEM

162623540

Created by admin on Sat Dec 16 01:54:27 GMT 2023 , Edited by admin on Sat Dec 16 01:54:27 GMT 2023

PRIMARY

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PARENT -> CONSTITUENT ALWAYS PRESENT

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: