BACOPASIDE I

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C46H74O20S
Molecular Weight	979.133
Optical Activity	UNSPECIFIED
Defined Stereocenters	24 / 24
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]9(O[C@@H]1[C@@H](O[C@]2([H])O[C@H](COS(O)(=O)=O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)CO[C@@]1([H])O[C@H]3CC[C@@]4(C)[C@@]([H])(CC[C@]5(C)[C@]4([H])CC[C@]6([H])[C@]7([H])[C@]8(C[C@@]56CO8)OC[C@@H](C=C(C)C)[C@]7(C)O)C3(C)C)O[C@@H](CO)[C@H](O)[C@H]9O

InChI

InChIKey=SKFWOYHZBNAJGA-YAOMZRCFSA-N

InChI=1S/C46H74O20S/c1-21(2)14-22-16-59-46-19-45(20-60-46)23(37(46)44(22,7)54)8-9-28-42(5)12-11-29(41(3,4)27(42)10-13-43(28,45)6)64-40-36(66-38-33(52)30(49)25(15-47)62-38)35(24(48)17-58-40)65-39-34(53)32(51)31(50)26(63-39)18-61-67(55,56)57/h14,22-40,47-54H,8-13,15-20H2,1-7H3,(H,55,56,57)/t22-,23-,24+,25+,26-,27+,28-,29+,30+,31-,32+,33-,34-,35+,36-,37+,38+,39+,40+,42+,43-,44+,45+,46-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C46H74O20S
Molecular Weight	979.133
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	23 / 24
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

PubMed

Title	Date	PubMed
Triterpene saponins from Bacopa monnieri and their antidepressant effects in two mice models.	2007 Apr	17343408

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:04:23 GMT 2023` Edited by `admin` on `Sat Dec 16 08:04:23 GMT 2023`
Record UNII	36B8WUA361
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BACOPASIDE I

Common Name

English

BACOPASIDE I, (-)-

Common Name

English

BACOPASIDE I (CONSTITUENT OF BACOPA) [DSC]

Common Name

English

Code System Code Type Description

PUBCHEM

21599442

Created by admin on Sat Dec 16 08:04:23 GMT 2023 , Edited by admin on Sat Dec 16 08:04:23 GMT 2023

PRIMARY

EPA CompTox

DTXSID00746870

Created by admin on Sat Dec 16 08:04:23 GMT 2023 , Edited by admin on Sat Dec 16 08:04:23 GMT 2023

PRIMARY

CAS

382148-47-2

Created by admin on Sat Dec 16 08:04:23 GMT 2023 , Edited by admin on Sat Dec 16 08:04:23 GMT 2023

PRIMARY

FDA UNII

36B8WUA361

Created by admin on Sat Dec 16 08:04:23 GMT 2023 , Edited by admin on Sat Dec 16 08:04:23 GMT 2023

PRIMARY