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Trichodermoside

CAT: 0931-TN10726-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TN10726-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3074780-91-6
Bioactivity
Trichodermoside is a sesquiterpene glycoside compound identified from Trichoderma sp. PT2. It exhibits mild activity in inhibiting the growth of human HeLa cells, making it of interest in studies related to antitumor applications.
Smiles
O([C@@H]1[C@H](NC(C)=O)[C@@H](O)[C@H](O)[C@@H](CO)O1)[C@H]2[C@H](O)C(C)(C)[C@H](CC/C(=C/CO)/C)C(C)=C2
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-2-[(1R,4R,6R)-6-hydroxy-4-[(E)-5-hydroxy-3-methylpent-3-enyl]-3,5,5-trimethylcyclohex-2-en-1-yl]oxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CAS Number3074780-91-6
PubChem CID177822904
IUPAC NameN-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-2-[(1R,4R,6R)-6-hydroxy-4-[(E)-5-hydroxy-3-methylpent-3-enyl]-3,5,5-trimethylcyclohex-2-en-1-yl]oxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Molecular FormulaC23H39NO8
Molecular Weight457.6
XLogP0.2
Topological Polar Surface Area149
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count32
Formal Charge0
Complexity706
SMILES
CC1=C[C@H]([C@@H](C([C@@H]1CC/C(=C/CO)/C)(C)C)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C
InChI
InChI=1S/C23H39NO8/c1-12(8-9-25)6-7-15-13(2)10-16(21(30)23(15,4)5)31-22-18(24-14(3)27)20(29)19(28)17(11-26)32-22/h8,10,15-22,25-26,28-30H,6-7,9,11H2,1-5H3,(H,24,27)/b12-8+/t15-,16-,17-,18-,19-,20-,21+,22+/m1/s1
InChIKey
NNCTXVSBDFDEFS-UHLKRIBUSA-N
Chemical Structure
2D Structure
2D structure of N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-2-[(1R,4R,6R)-6-hydroxy-4-[(E)-5-hydroxy-3-methylpent-3-enyl]-3,5,5-trimethylcyclohex-2-en-1-yl]oxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CAS: 3074780-91-6
CID: 177822904
Formula: C23H39NO8
MW: 457.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight457.6
XLogP30.2
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass457.26756720
Monoisotopic Mass457.26756720
Topological Polar Surface Area149 Ų
Heavy Atom Count32
Formal Charge0
Complexity706
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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