Structure Database (LMSD)
Common Name
Nystatin A1
Systematic Name
Synonyms
3D model of Nystatin A1
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
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
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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