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Tenacissoside D

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CAS Number
107347-57-9
UNSPSC Description
Tenacissoside D is an active component found in Periploca sepium[1].
Target Antigen
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/tenacissoside-d.html
Smiles
C[C@@]12[C@]3(CC[C@H]2C(C)=O)[C@]4([C@]([C@@]5([C@@](C[C@H](CC5)O[C@H]6C[C@H]([C@@H]([C@H](O6)C)O[C@H]7[C@@H]([C@@H]([C@@H]([C@H](O7)C)O[C@@H]8O[C@@H]([C@H]([C@@H]([C@H]8O)O)O)CO)OC)O)OC)([H])CC4)C)([H])[C@@H]([C@H]1OC(/C(C)=C/C)=O)OC(C(C)CC)=O)O3
Molecular Weight
997.17
References & Citations
[1]Miyakawa S, et al. Five glycosides from the chinese drug ‘tong-guang-san’: the stems of Marsdenia tenacissima[J]. Phytochemistry, 1986, 25(12): 2861-2865.
Shipping Conditions
Room temperature
Clinical Information
No Development Reported

Chemical Information

Tenacissoside D

Tencissoside D has been reported in Marsdenia tenacissima with data available.

CAS Number107347-57-9
PubChem CID102589619
IUPAC Name[(1S,3R,6R,7S,8S,9S,10S,11S,14S,16S)-6-acetyl-14-[(2R,4R,5R,6R)-5-[(2S,3R,4S,5R,6R)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-7,11-dimethyl-8-[(E)-2-methylbut-2-enoyl]oxy-2-oxapentacyclo[8.8.0.01,3.03,7.011,16]octadecan-9-yl] 2-methylbutanoate
Molecular FormulaC51H80O19
Molecular Weight997.2
XLogP2.9
Topological Polar Surface Area257
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count19
Rotatable Bond Count17
Heavy Atom Count70
Formal Charge0
Complexity1930
SMILES
CCC(C)C(=O)O[C@H]1[C@@H]2[C@]3(CC[C@@H](C[C@@H]3CC[C@@]24[C@@]5(O4)CC[C@H]([C@]5([C@@H]1OC(=O)/C(=C/C)/C)C)C(=O)C)O[C@H]6C[C@H]([C@@H]([C@H](O6)C)O[C@H]7[C@@H]([C@@H]([C@@H]([C@H](O7)C)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)OC)O)OC)C
InChI
InChI=1S/C51H80O19/c1-12-23(3)44(58)66-41-42-48(8)17-15-29(20-28(48)14-18-50(42)51(70-50)19-16-30(25(5)53)49(51,9)43(41)69-45(59)24(4)13-2)64-33-21-31(60-10)38(26(6)62-33)67-47-37(57)40(61-11)39(27(7)63-47)68-46-36(56)35(55)34(54)32(22-52)65-46/h13,23,26-43,46-47,52,54-57H,12,14-22H2,1-11H3/b24-13+/t23?,26-,27-,28+,29+,30+,31-,32-,33+,34-,35+,36-,37-,38-,39-,40+,41+,42-,43-,46+,47+,48+,49+,50+,51-/m1/s1
InChIKey
MJWMCPDPBRCPSN-UKSKWDROSA-N
Chemical Structure
2D Structure
2D structure of Tenacissoside D
CAS: 107347-57-9
CID: 102589619
Formula: C51H80O19
MW: 997.2
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight997.2
XLogP32.9
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count19
Rotatable Bond Count17
Exact Mass996.52938032
Monoisotopic Mass996.52938032
Topological Polar Surface Area257 Ų
Heavy Atom Count70
Formal Charge0
Complexity1930
Isotope Atom Count0
Defined Atom Stereocenter Count24
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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