Structure Database (LMSD)
Common Name
griseorhodin A
Systematic Name
Synonyms
3D model of griseorhodin A
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
MRNNMFMPNANLHB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H16O12/c1-6-3-7-4-8-19(17(29)11(7)24(32)34-6)36-25(23-20(8)35-23)22(31)14-16(28)12-9(26)5-10(33-2)15(27)13(12)18(30)21(14)37-25/h3-5,20,22-23,28-31H,1-2H3
SMILES (Click to copy)
C12C(=O)C(OC)=CC(=O)C=1C(O)=C1C(O)C3(OC4C(O)=C5C(=O)OC(C)=CC5=CC=4C4OC34)OC1=C2O
References
Calculated Physicochemical Properties
Heavy Atoms
37
Rings
7
Aromatic Rings
2
Rotatable Bonds
1
Van der Waals Molecular Volume
409.18
Topological Polar Surface Area
187.79
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
12
logP
2.47
Molar Refractivity
118.28
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Created at
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Updated at
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