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Details

Stereochemistry ABSOLUTE
Molecular Formula C45H74O17
Molecular Weight 887.0589
Optical Activity UNSPECIFIED
Defined Stereocenters 27 / 27
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ASPARANIN B

SMILES

[H][C@]12C[C@@]3([H])[C@]4([H])CC[C@]5([H])C[C@H](CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]6(CC[C@H](C)CO6)O2)O[C@]7([H])O[C@H](CO)[C@@H](O[C@]8([H])O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H](O)[C@H]7O[C@]9([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O

InChI

InChIKey=BCUDKRWNGQAFLF-PJFZGHSASA-N
InChI=1S/C45H74O17/c1-19-8-13-45(55-18-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-41-36(53)34(51)32(49)28(16-46)58-41)37(54)38(29(17-47)59-42)60-40-35(52)33(50)31(48)21(3)56-40/h19-42,46-54H,6-18H2,1-5H3/t19-,20-,21-,22+,23-,24+,25-,26-,27-,28+,29+,30-,31-,32+,33+,34-,35+,36+,37-,38+,39+,40-,41-,42+,43-,44-,45+/m0/s1

HIDE SMILES / InChI

Molecular Formula C45H74O17
Molecular Weight 887.0589
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 26 / 27
E/Z Centers 0
Optical Activity UNSPECIFIED

Asparanin B is a steroidal saponin from the roots of Asparagus racemosus. It has being shown to exhibit significant anticancer activity in both in vitro and in vivo experimental models.

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: CHEMBL614516
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown

Approved Use

Unknown
PubMed

PubMed

TitleDatePubMed
Patents

Patents

Sample Use Guides

250 and 500 mg/kg b.wt., orally, once daily for 10 days
Route of Administration: Unknown
Unknown
Substance Class Chemical
Created
by admin
on Sat Dec 16 07:58:25 GMT 2023
Edited
by admin
on Sat Dec 16 07:58:25 GMT 2023
Record UNII
Z905922Y1P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ASPARANIN B
Common Name English
CURILLIN H
Common Name English
.BETA.-D-GLUCOPYRANOSIDE, (3.BETA.,5.BETA.,25S)-SPIROSTAN-3-YL O-6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->4)-O-(.BETA.-D-GLUCOPYRANOSYL-(1->2))-
Systematic Name English
SHATAVARIN IV
Common Name English
Code System Code Type Description
CAS
84633-34-1
Created by admin on Sat Dec 16 07:58:25 GMT 2023 , Edited by admin on Sat Dec 16 07:58:25 GMT 2023
PRIMARY
PUBCHEM
441896
Created by admin on Sat Dec 16 07:58:25 GMT 2023 , Edited by admin on Sat Dec 16 07:58:25 GMT 2023
PRIMARY
FDA UNII
Z905922Y1P
Created by admin on Sat Dec 16 07:58:25 GMT 2023 , Edited by admin on Sat Dec 16 07:58:25 GMT 2023
PRIMARY
EPA CompTox
DTXSID501317487
Created by admin on Sat Dec 16 07:58:25 GMT 2023 , Edited by admin on Sat Dec 16 07:58:25 GMT 2023
PRIMARY
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