Structure Database (LMSD)

Common Name
Nystatin A1
Systematic Name
Synonyms
LM ID
LMPK06000004
Status
Active
Exact Mass
Calculate m/z
925.503504
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

Category
Main Class
Sub Class

String Representations

InChiKey (Click to copy)
VQOXZBDYSJBXMA-NQTDYLQESA-N
InChi (Click to copy)
InChI=1S/C47H75NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-36(53)35(52)20-19-31(49)21-32(50)22-33(51)23-39(55)62-29(3)28(2)42(27)56/h5-6,8,10-18,27-38,40-44,46,49-54,56-58,61H,7,9,19-26,48H2,1-4H3,(H,59,60)/b6-5+,10-8+,13-11+,14-12+,17-15+,18-16+/t27-,28-,29-,30+,31+,32+,33+,34-,35+,36+,37-,38-,40+,41-,42+,43+,44-,46-,47+/m0/s1
SMILES (Click to copy)
O1[C@H](C)[C@H]([C@H](N)[C@H](O)[C@@H]1O[C@H]1C=CC=CC=CC=CCCC=CC=C[C@@H]([C@@H](O)[C@@H](C)[C@H](C)OC(=O)C[C@H](O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@@]2(C[C@H](O)[C@@H](C(=O)O)[C@]([H])(C1)O2)O)C)O

References

Other Databases

KEGG ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 65
Rings 3
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 923.89
Topological Polar Surface Area 325.82
Hydrogen Bond Donors 12
Hydrogen Bond Acceptors 17
logP 5.52
Molar Refractivity 245.28

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Created at
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Updated at
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