Structure Database (LMSD)

Common Name
ent-Fisetinidol-(4beta->8)-catechin-(6->4beta)-ent-fisetinidol
Systematic Name
Synonyms
LM ID
LMPK12030009
Status
Active
Exact Mass
Calculate m/z
850.210905
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
NXSVKTOYEPMJFS-NRGVUCKPSA-N
InChi (Click to copy)
InChI=1S/C45H38O17/c46-19-3-5-21-31(13-19)60-43(17-2-8-25(49)27(51)10-17)40(58)33(21)35-37(55)23-15-30(54)42(16-1-7-24(48)26(50)9-16)62-45(23)36(39(35)57)34-22-6-4-20(47)14-32(22)61-44(41(34)59)18-11-28(52)38(56)29(53)12-18/h1-14,30,33-34,40-44,46-59H,15H2/t30-,33?,34+,40+,41+,42+,43+,44+/m0/s1
SMILES (Click to copy)

References

Other Databases

KEGG ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 62
Rings 9
Aromatic Rings 6
Rotatable Bonds 5
Van der Waals Molecular Volume 712.33
Topological Polar Surface Area 317.12
Hydrogen Bond Donors 14
Hydrogen Bond Acceptors 17
logP 5.60
Molar Refractivity 214.02

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Created at
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Updated at
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