Verbascoside(CAS No. 61276-17-3)

Verbascoside C29H36O15 (cas 61276-17-3) Molecular Structure

61276-17-3 Structure

Identification and Related Records

【Name】
Verbascoside
【CAS Registry number】
61276-17-3
【Synonyms】
b-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl3-O-(6-deoxy-a-L-mannopyranosyl)-,4-[3-(3,4-dihydroxyphenyl)-2-propenoate], (E)-
Acteoside
Kusaginin
NSC603831
Russetinol
TJC 160
【Molecular Formula】
C29H36O15 (Products with the same molecular formula)
【Molecular Weight】
624.59
【Inchi】
InChI=1/C29H36O15/c1-13-22(36)23(37)24(38)29(41-13)44-27-25(39)28(40-9-8-15-3-6-17(32)19(34)11-15)42-20(12-30)26(27)43-21(35)7-4-14-2-5-16(31)18(33)10-14/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27+,28+,29-/m0/s1
【Canonical SMILES】
CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)CO)OCCC4=CC(=C(C=C4)O)O)O)O)O)O
【Isomers smiles】
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]
2OC(=O)/C=C/C3=CC(=C(C=C3)O)O)CO)OCCC4=CC(=C(C=C4)O)O)O)O)O)O
【MOL File】
61276-17-3.mol

Chemical and Physical Properties

【Density】
1.6 g/cm3
【Boiling Point】
908.8 °C at 760 mmHg
【Refractive Index】
1.689
【Flash Point】
294.7 °C
【Computed Properties】
Molecular Weight:624.58714 [g/mol]
Molecular Formula:C29H36O15
XLogP3-AA:-0.5
H-Bond Donor:9
H-Bond Acceptor:15
Rotatable Bond Count:11
Tautomer Count:288
Exact Mass:624.20542
MonoIsotopic Mass:624.20542
Topological Polar Surface Area:245
Heavy Atom Count:44
Formal Charge:0
Complexity:936
Isotope Atom Count:0
Defined Atom Stereocenter Count:10
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:1
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:10
Feature 3D Donor Count:9
Feature 3D Ring Count:4
Effective Rotor Count:13.4
Conformer Sampling RMSD:1.2
CID Conformer Count:100

Safety and Handling

【Specification】

 Verbascoside , its cas register number is 61276-17-3. It also can be called Acteoside ; Kusaginin ; Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 3-O-(6-deoxy-alpha-L-mannopyranosyl)-, 4-(3-(3,4-dihydroxyphenyl)-2-propenoate), (E)-beta-D- .

Biomedical Effects and Toxicity

【Pharmacological Action】
- Substances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection.
- Agents obtained from higher plants that have demonstrable cytostatic or antineoplastic activity.
- Naturally occurring or synthetic substances that inhibit or retard the oxidation of a substance to which it is added. They counteract the harmful and damaging effects of oxidation in animal tissues.
- Chemicals that bind to and remove ions from solutions. Many chelating agents function through the formation of COORDINATION COMPLEXES with METALS.
- Agents that suppress immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-CELLS or by inhibiting the activation of HELPER CELLS. While immunosuppression has been brought about in the past primarily to prevent rejection of transplanted organs, new applications involving mediation of the effects of INTERLEUKINS and other CYTOKINES are emerging.

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Verbascoside

Acteoside;Verbascoside;Kusaginin;TJC 160;NSC 603831;61276-17-3;Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 3-O-(6-deoxy-alpha-L-mannopyranosyl)-, 4-...