HYGROMYCIN B

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 3XQ2233B0B
EPA CompTox DTXSID7041045

Structure

InChI Key GRRNUXAQVGOGFE-KPBUCVLVSA-N
Smiles CN[C@H]1C[C@H]([C@@H]([C@H]([C@@H]1O)O[C@H]2[C@@H]3[C@H]([C@H]([C@H](O2)CO)O)OC4(O3)[C@@H]([C@@H]([C@H]([C@H](O4)[C@H](CO)N)O)O)O)O)N
InChI
InChI=1S/C20H37N3O13/c1-23-7-2-5(21)9(26)15(10(7)27)33-19-17-16(11(28)8(4-25)32-19)35-20(36-17)18(31)13(30)12(29)14(34-20)6(22)3-24/h5-19,23-31H,2-4,21-22H2,1H3/t5-,6+,7+,8-,9+,10-,11+,12-,13-,14-,15-,16+,17+,18-,19+,20?/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H37N3O13
Molecular Weight 527.23
AlogP -7.27
Hydrogen Bond Acceptor 16.0
Hydrogen Bond Donor 11.0
Number of Rotational Bond 6.0
Polar Surface Area 272.06
Heavy Atoms 36.0

Cross References

Resources Reference
CAS NUMBER 31282-04-9
NORMAN SUSDAT
FDA SRS 3XQ2233B0B
PubChem 35766
ChemSpider 32900.0
CONTENTS