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Nogalamycinic Acid
FEATURES
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NAMES
  • Nogalamycinic Acid
SMILES
CO[C@H]1[C@H](C)O[C@@H](O[C@H]2C[C@](C)(O)[C@H](C(=O)O)c3cc4c(c(O)c32)C(=O)c2c(O)cc3c(c2C4=O)O[C@@H]2O[C@@]3(C)[C@H](O)[C@@H](N(C)C)[C@@H]2O)[C@H](OC)[C@]1(C)OC
InChI
InChI=1S/C38H47NO16/c1-13-31(49-7)38(4,51-9)32(50-8)35(52-13)53-18-12-36(2,48)23(33(46)47)14-10-15-20(26(42)19(14)18)27(43)21-17(40)11-16-29(22(21)25(15)41)54-34-28(44)24(39(5)6)30(45)37(16,3)55-34/h10-11,13,18,23-24,28,30-32,34-35,40,42,44-45,48H,12H2,1-9H3,(H,46,47)/t13-,18-,23-,24-,28-,30+,31-,32-,34+,35-,36-,37+,38+/m0/s1
MOLECULAR FORMULA
C38H47NO16
CROSS REFERENCES
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Nogalamycinic Acid

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 773.29
AlogP 1.05
HBond donors 6
HBond acceptors 17
Atoms 102
Contains toxicophore No
Contains PAINS Yes
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Nogalamycinic Acid.