Structure Database (LMSD)
Common Name
Nystatin A3
Systematic Name
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Nystatin A3
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)
IKYMLQOHQLVORI-PLAPNZKPSA-N
InChi (Click to copy)
InChI=1S/C53H85NO20/c1-29-18-16-14-12-10-8-6-7-9-11-13-15-17-19-37(72-52-49(65)46(54)48(64)33(5)71-52)25-42-45(51(66)67)41(61)28-53(68,74-42)27-40(60)38(58)21-20-34(55)22-35(56)23-36(57)24-43(62)69-31(3)30(2)50(29)73-44-26-39(59)47(63)32(4)70-44/h6-7,9,11-19,29-42,44-50,52,55-61,63-65,68H,8,10,20-28,54H2,1-5H3,(H,66,67)/b7-6+,11-9+,14-12+,15-13+,18-16+,19-17+/t29-,30-,31-,32-,33+,34+,35+,36+,37-,38+,39+,40+,41-,42-,44?,45+,46-,47-,48+,49-,50+,52-,53+/m0/s1
SMILES (Click to copy)
O1[C@H](C)[C@H]([C@H](N)[C@@H]([C@@H]1O[C@H]1C=CC=CC=CC=CCCC=CC=C[C@@H]([C@@H](OC2C[C@@H](O)[C@@H](O)[C@H](C)O2)[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)O
References
Calculated Physicochemical Properties
Heavy Atoms
74
Rings
4
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
1041.70
Topological Polar Surface Area
366.58
Hydrogen Bond Donors
13
Hydrogen Bond Acceptors
20
logP
6.54
Molar Refractivity
277.16
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Created at
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Updated at
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