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Cycloneroside D

CAT: 0931-TN10744-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN10744-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3075431-07-8
Target
NO Synthase
Related Pathways
Immunology/Inflammation
Bioactivity
Cycloneroside D, a novel sesquiterpene aminoglycoside, was isolated from the deep-sea sediment fungus Trichoderma sp. SCSIOW21. It demonstrates activity in inhibiting NO production, with an IC50 value of 42.0 μM in macrophage RAW 264.7 cell experiments. Cycloneroside D is a potential candidate for anti-inflammatory research.
Smiles
C[C@]1(O[C@@H]([C@](C)(C)O)CC1)[C@]2([C@H](C)C(CO[C@@H]3[C@H](NC(C)=O)[C@@H](O)[C@H](O)[C@@H](CO)O3)=CC2)[H]
Molecular Formula
C23H39NO8
Molecular Weight
457.558
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(4R,5S)-4-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-5-methylcyclopenten-1-yl]methoxy]oxan-3-yl]acetamide
CAS Number3075431-07-8
PubChem CID177822950
IUPAC NameN-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(4R,5S)-4-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-5-methylcyclopenten-1-yl]methoxy]oxan-3-yl]acetamide
Molecular FormulaC23H39NO8
Molecular Weight457.6
XLogP-0.4
Topological Polar Surface Area138
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count32
Formal Charge0
Complexity712
SMILES
C[C@H]1[C@@H](CC=C1CO[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)[C@]3(CC[C@@H](O3)C(C)(C)O)C
InChI
InChI=1S/C23H39NO8/c1-12-14(6-7-15(12)23(5)9-8-17(32-23)22(3,4)29)11-30-21-18(24-13(2)26)20(28)19(27)16(10-25)31-21/h6,12,15-21,25,27-29H,7-11H2,1-5H3,(H,24,26)/t12-,15-,16-,17-,18-,19-,20-,21+,23-/m1/s1
InChIKey
GJFFBWYFFDWERV-UFQWVKPASA-N
Chemical Structure
2D Structure
2D structure of N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(4R,5S)-4-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-5-methylcyclopenten-1-yl]methoxy]oxan-3-yl]acetamide
CAS: 3075431-07-8
CID: 177822950
Formula: C23H39NO8
MW: 457.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight457.6
XLogP3-0.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass457.26756720
Monoisotopic Mass457.26756720
Topological Polar Surface Area138 Ų
Heavy Atom Count32
Formal Charge0
Complexity712
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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HY-N15502Cycloneroside A
GTR19256312-01Cycloneroside D
HY-N15504Cycloneroside C
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HY-N15506Cycloneroside E

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