Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C44H64O18 |
| Molecular Weight | 880.9682 |
| Optical Activity | ( + ) |
| Defined Stereocenters | 20 / 20 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@@]7(O[C@@H]1[C@@H](O)[C@H](O)[C@H](O[C@@]1([H])O[C@H]2CC[C@@]3(C)[C@@]([H])(CC[C@]4(C)[C@]3([H])C(=O)C=C5[C@]6([H])C[C@](C)(C[C@@H](OC(C)=O)[C@]6(C)CC[C@@]45C)C(O)=O)C2(C)C)C(O)=O)O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)C(O)=O
InChI
InChIKey=OBFDSOYVKVRFGY-AZFCQWTHSA-N
InChI=1S/C44H64O18/c1-18(45)58-24-17-40(4,38(56)57)16-20-19-15-21(46)33-42(6)11-10-23(39(2,3)22(42)9-12-44(33,8)43(19,7)14-13-41(20,24)5)59-37-32(28(50)27(49)31(61-37)35(54)55)62-36-29(51)25(47)26(48)30(60-36)34(52)53/h15,20,22-33,36-37,47-51H,9-14,16-17H2,1-8H3,(H,52,53)(H,54,55)(H,56,57)/t20-,22-,23-,24+,25-,26-,27-,28-,29+,30-,31-,32+,33+,36-,37+,40+,41+,42-,43+,44+/m0/s1
| Molecular Formula | C44H64O18 |
| Molecular Weight | 880.9682 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 20 / 20 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 01:01:25 GMT 2023
by
admin
on
Sat Dec 16 01:01:25 GMT 2023
|
| Record UNII |
VFH398C4TK
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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| Code System | Code | Type | Description | ||
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938042-17-2
Created by
admin on Sat Dec 16 01:01:25 GMT 2023 , Edited by admin on Sat Dec 16 01:01:25 GMT 2023
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PRIMARY | |||
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VFH398C4TK
Created by
admin on Sat Dec 16 01:01:25 GMT 2023 , Edited by admin on Sat Dec 16 01:01:25 GMT 2023
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PRIMARY | |||
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102051862
Created by
admin on Sat Dec 16 01:01:25 GMT 2023 , Edited by admin on Sat Dec 16 01:01:25 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> CONSTITUENT ALWAYS PRESENT |
Anti-H1N1 (IC50 in uM) activity of compound was shown to be 49.1 uM.
Anti-HIV (IC50 in uM) activity of compound was shown to be 29.5 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.
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