OLIGOMYCIN D

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 4736R46V0G

Structure

InChI Key LVWVMRBMGDJZLM-WXPRFNGZSA-N
Smiles CC[C@H]1CC[C@@H]2[C@@H]([C@@H](C[C@@]3(O2)CC[C@H]([C@H](O3)C[C@H](C)O)C)OC(=O)/C=C/[C@H]([C@@H]([C@H](C(=O)[C@H]([C@@H]([C@H](C(=O)[C@@]([C@@H]([C@H](C/C=C/C=C1)C)O)(C)O)C)O)C)C)O)C)C
InChI
InChI=1S/C44H72O11/c1-11-33-16-14-12-13-15-27(4)41(50)43(10,52)42(51)32(9)40(49)31(8)39(48)30(7)38(47)26(3)17-20-37(46)53-36-24-44(54-34(19-18-33)29(36)6)22-21-25(2)35(55-44)23-28(5)45/h12-14,16-17,20,25-36,38,40-41,45,47,49-50,52H,11,15,18-19,21-24H2,1-10H3/b13-12+,16-14+,20-17+/t25-,26-,27+,28+,29+,30-,31-,32-,33-,34-,35-,36-,38+,40+,41-,43+,44-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C44H72O11
Molecular Weight 776.51
AlogP 5.64
Hydrogen Bond Acceptor 11.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 3.0
Polar Surface Area 180.05
Heavy Atoms 55.0

Cross References

Resources Reference
CAS NUMBER 1404-59-7
NORMAN SUSDAT
FDA SRS 4736R46V0G
PubChem 5281902
ChemSpider 16735943.0
CONTENTS