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Taccaoside E

CAT: 0931-TN6260Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN6260Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1858199-00-4
Bioactivity
Taccaoside E is a natural product for research related to life sciences. The catalog number is TN6260 and the CAS number is 1858199-00-4.
Smiles
[H][C@]12C[C@@]3([H])[C@]4([H])CC=C5C[C@H](CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]1(CC[C@@H](C)CO1)O2)O[C@@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O |t:8|
Molecular Formula
C47H74O17
Molecular Weight
911.092
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Taccaoside E
CAS Number1858199-00-4
PubChem CID132552698
IUPAC Name[(2R,3R,4S,5R,6R)-3-hydroxy-6-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-4,5-bis[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]oxan-2-yl]methyl acetate
Molecular FormulaC47H74O17
Molecular Weight911.1
XLogP1.9
Topological Polar Surface Area242
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count17
Rotatable Bond Count9
Heavy Atom Count64
Formal Charge0
Complexity1720
SMILES
C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)COC(=O)C)O)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)C)OC1
InChI
InChI=1S/C47H74O17/c1-20-10-15-47(57-18-20)21(2)32-30(64-47)17-29-27-9-8-25-16-26(11-13-45(25,6)28(27)12-14-46(29,32)7)60-44-41(63-43-39(55)37(53)34(50)23(4)59-43)40(35(51)31(61-44)19-56-24(5)48)62-42-38(54)36(52)33(49)22(3)58-42/h8,20-23,26-44,49-55H,9-19H2,1-7H3/t20-,21+,22+,23+,26+,27-,28+,29+,30+,31-,32+,33+,34+,35-,36-,37-,38-,39-,40+,41-,42+,43+,44-,45+,46+,47-/m1/s1
InChIKey
LMVFODAQZPSFBM-CXHYRJMTSA-N
Chemical Structure
2D Structure
2D structure of Taccaoside E
CAS: 1858199-00-4
CID: 132552698
Formula: C47H74O17
MW: 911.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight911.1
XLogP31.9
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count17
Rotatable Bond Count9
Exact Mass910.49260089
Monoisotopic Mass910.49260089
Topological Polar Surface Area242 Ų
Heavy Atom Count64
Formal Charge0
Complexity1720
Isotope Atom Count0
Defined Atom Stereocenter Count26
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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