URALSAPONIN T

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C48H74O19
Molecular Weight	955.0898
Optical Activity	( + )
Defined Stereocenters	24 / 24
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@H]1O[C@@H](O[C@@H]2CC(C)(C)C[C@H]3C4=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@@]5(C)[C@]4(C)CC[C@@]23C)[C@H](O)[C@H](O)[C@H]1O

InChI

InChIKey=PDSBBERBJSPJMP-JNPZOHSNSA-N

InChI=1S/C48H74O19/c1-19-26(50)27(51)32(56)40(62-19)64-25-18-43(2,3)17-21-20-16-22(49)37-46(7)12-11-24(44(4,5)23(46)10-13-48(37,9)47(20,8)15-14-45(21,25)6)63-42-36(31(55)30(54)35(66-42)39(60)61)67-41-33(57)28(52)29(53)34(65-41)38(58)59/h16,19,21,23-37,40-42,50-57H,10-15,17-18H2,1-9H3,(H,58,59)(H,60,61)/t19-,21-,23-,24-,25+,26-,27+,28-,29-,30-,31-,32+,33+,34-,35-,36+,37+,40-,41-,42+,45+,46-,47+,48+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C48H74O19
Molecular Weight	955.0898
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 `Mon Mar 31 21:03:37 GMT 2025` Edited by `admin` on `Mon Mar 31 21:03:37 GMT 2025`
Record UNII	ULU5RJ2785
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

URALSAPONIN T

Common Name

English

3.BETA.-O-(.BETA.-D-GLUCURONOPYRANOSYL-(1->2)-.BETA.-D-GLUCURONOPYRANOSYL)-22.BETA.-O-(.ALPHA.-L-RHAMNOPYRANOSYL)-11-OXO-OLEAN-12-ENE

Preferred Name

English

(2S,3S,4S,5R,6R)-6-((2R,3R,4S,5S,6S)-2-(((3S,4AR,6AR,6BS,8AR,9R,12AS,14AR,14BS)-4,4,6A,6B,8A,11,11,14B-OCTAMETHYL-14-OXO-9-((2R,3R,4R,5R,6S)-3,4,5-TRIHYDROXY-6-METHYLOXAN-2-YL)OXY-2,3,4A,5,6,7,8,9,10,12,12A,14A-DODECAHYDRO-1H-PICEN-3-YL)OXY)-6-CARBOXY-4,

Systematic Name

English

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (3.BETA.,22.BETA.)-22-((6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)OXY)-11-OXOOLEAN-12-EN-3-YL 2-O-.BETA.-D-GLUCOPYRANURONOSYL-

Systematic Name

English

Code System Code Type Description

CAS

1616062-85-1

Created by admin on Mon Mar 31 21:03:37 GMT 2025 , Edited by admin on Mon Mar 31 21:03:37 GMT 2025

PRIMARY

PUBCHEM

118707637

Created by admin on Mon Mar 31 21:03:37 GMT 2025 , Edited by admin on Mon Mar 31 21:03:37 GMT 2025

PRIMARY

FDA UNII

ULU5RJ2785

Created by admin on Mon Mar 31 21:03:37 GMT 2025 , Edited by admin on Mon Mar 31 21:03:37 GMT 2025

PRIMARY

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PARENT -> CONSTITUENT ALWAYS PRESENT

Comments:

Anti-H1N1 (IC50 in uM) activity of compound was shown to be 39.6 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: