天堂网亚洲,天天操天天搞,91视频高清,菠萝蜜视频在线观看入口,美女视频性感美女视频,95丝袜美女视频国产,超高清美女视频图片

Home Cart 0 Sign in  

[ CAS No. 61276-17-3 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 61276-17-3
Chemical Structure| 61276-17-3
Structure of 61276-17-3 * Storage: {[proInfo.prStorage]}

Please Login or Create an Account to: See VIP prices and availability

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

* Shipping: {[proInfo.prShipping]}

Quality Control of [ 61276-17-3 ]

Related Doc. of [ 61276-17-3 ]

Alternatived Products of [ 61276-17-3 ]
Product Citations

Product Details of [ 61276-17-3 ]

CAS No. :61276-17-3 MDL No. :MFCD00221751
Formula : C29H36O15 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 624.59 Pubchem ID :-
Synonyms :
Kusaginin;TJC160;Acetoside;NSC 603831;Verbascoside
Chemical Name :(2R,3R,4R,5R,6R)-6-(3,4-Dihydroxyphenethoxy)-5-hydroxy-2-(hydroxymethyl)-4-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-3-yl (E)-3-(3,4-dihydroxyphenyl)acrylate

Calculated chemistry of [ 61276-17-3 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 44
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.48
Num. rotatable bonds : 11
Num. H-bond acceptors : 15.0
Num. H-bond donors : 9.0
Molar Refractivity : 148.42
TPSA : 245.29 ?2

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -10.46 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.15
Log Po/w (XLOGP3) : -0.5
Log Po/w (WLOGP) : -1.12
Log Po/w (MLOGP) : -2.37
Log Po/w (SILICOS-IT) : -1.14
Consensus Log Po/w : -0.6

Druglikeness

Lipinski : 3.0
Ghose : None
Veber : 2.0
Egan : 1.0
Muegge : 4.0
Bioavailability Score : 0.17

Water Solubility

Log S (ESOL) : -2.87
Solubility : 0.836 mg/ml ; 0.00134 mol/l
Class : Soluble
Log S (Ali) : -4.18
Solubility : 0.0409 mg/ml ; 0.0000655 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -0.22
Solubility : 377.0 mg/ml ; 0.604 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 1.0 alert
Brenk : 2.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 6.37

Safety of [ 61276-17-3 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 61276-17-3 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Upstream synthesis route of [ 61276-17-3 ]

[ 61276-17-3 ] Synthesis Path-Upstream   1~17

  • 1
  • [ 253790-76-0 ]
  • [ 61276-17-3 ]
Reference： [1] Journal of Organic Chemistry, 1999, vol. 64, # 25, p. 9268 - 9271
  • 2
  • [ 96826-11-8 ]
  • [ 61276-17-3 ]
Reference： [1] Journal of Organic Chemistry, 1999, vol. 64, # 25, p. 9268 - 9271
  • 3
  • [ 54429-62-8 ]
  • [ 61276-17-3 ]
Reference： [1] Journal of Organic Chemistry, 1999, vol. 64, # 25, p. 9268 - 9271
  • 4
  • [ 39698-00-5 ]
  • [ 61276-17-3 ]
Reference： [1] Journal of Organic Chemistry, 1999, vol. 64, # 25, p. 9268 - 9271
  • 5
  • [ 253790-67-9 ]
  • [ 61276-17-3 ]
Reference： [1] Journal of Organic Chemistry, 1999, vol. 64, # 25, p. 9268 - 9271
  • 6
  • [ 253790-69-1 ]
  • [ 61276-17-3 ]
Reference： [1] Journal of Organic Chemistry, 1999, vol. 64, # 25, p. 9268 - 9271
  • 7
  • [ 253790-72-6 ]
  • [ 61276-17-3 ]
Reference： [1] Journal of Organic Chemistry, 1999, vol. 64, # 25, p. 9268 - 9271
  • 8
  • [ 253790-68-0 ]
  • [ 61276-17-3 ]
Reference： [1] Journal of Organic Chemistry, 1999, vol. 64, # 25, p. 9268 - 9271
  • 9
  • [ 253790-70-4 ]
  • [ 61276-17-3 ]
Reference： [1] Journal of Organic Chemistry, 1999, vol. 64, # 25, p. 9268 - 9271
  • 10
  • [ 253790-71-5 ]
  • [ 61276-17-3 ]
Reference： [1] Journal of Organic Chemistry, 1999, vol. 64, # 25, p. 9268 - 9271
  • 11
  • [ 253790-74-8 ]
  • [ 61276-17-3 ]
Reference： [1] Journal of Organic Chemistry, 1999, vol. 64, # 25, p. 9268 - 9271
  • 12
  • [ 253790-73-7 ]
  • [ 61276-17-3 ]
Reference： [1] Journal of Organic Chemistry, 1999, vol. 64, # 25, p. 9268 - 9271
  • 13
  • [ 253790-75-9 ]
  • [ 61276-17-3 ]
Reference： [1] Journal of Organic Chemistry, 1999, vol. 64, # 25, p. 9268 - 9271
  • 14
  • [ 94130-58-2 ]
  • [ 61276-17-3 ]
Reference： [1] Heterocycles, 1990, vol. 30, # 1, p. 291 - 294
  • 15
  • [ 131903-54-3 ]
  • [ 61276-17-3 ]
  • [ 84744-28-5 ]
Reference： [1] Phytochemistry (Elsevier), 1991, vol. 30, # 3, p. 965 - 969
  • 16
  • [ 250740-80-8 ]
  • [ 61276-17-3 ]
Reference： [1] European Journal of Organic Chemistry, 1999, # 10, p. 2623 - 2632
  • 17
  • [ 143617-02-1 ]
  • [ 61276-17-3 ]
Reference： [1] Chemistry of Natural Compounds, 1991, vol. 27, # 5, p. 556 - 559[2] Khimiya Prirodnykh Soedinenii, 1991, # 5, p. 630 - 634
Recommend Products
Same Skeleton Products

Technical Information

Historical Records
; ;