aclacinomycins

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 23
Total Number of Articles : 22
PubChem 149755
Molecular Formula

C30H35NO10

SMILES

CC[C@]1(C[C@@H](C2=C(C3=C(C=C2[C@H]1C(=O)OC)C(=O)C4=C(C3=O)C(=CC=C4)O)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N(C)C)O

InChI

InChI=1S/C30H35NO10/c1-6-30(38)12-19(41-20-11-17(31(3)4)25(33)13(2)40-20)22-15(24(30)29(37)39-5)10-16-23(28(22)36)27(35)21-14(26(16)34)8-7-9-18(21)32/h7-10,13,17,19-20,24-25,32-33,36,38H,6,11-12H2,1-5H3/t13-,17-,19-,20-,24-,25+,30+/m0/s1

synonyms
  • Aclacinomycin
  • Aclacinomycin T
  • aklavin
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Properties
Property Value
MW 569.6 g/mol
HBD 4
HBA 11
Rotatable Bond Count 6
Exact Mass 569.22609631 g/mol
Monoisotopic Mass 569.22609631 g/mol
Heavy Atom Count 41
Isotope Atom Count 0
Atom Stereo Count 7
Covalent Unit Count 1
Complexity 1020
xlogp 3.1
Topological Polar Surface Area 163