GD130355

Name:

Nosokomycin B1

Formula:

C64H104O33N5P

Smiles:

C=C(CC=C(C)CCC=C(C)C)CCC(C)(C)C=CCCC(C)=CCOC(COP(=O)(O)OC1OC(C(=N)O)C(C)(O)C(OC(=N)O)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(OC2OC(CO)C(OC3OC(C(=N)O)C(O)C(O)C3O)C(O)C2N=C(C)O)C(O)C1N=C(C)O)C(=O)O

Aglycone:

C=C(CC=C(C)CCC=C(C)C)CCC(C)(C)C=CCCC(C)=CCOC(COP(=O)(O)O)C(=O)O

Sugarmoiety:

CC(O)=NC1C(OC2C(COC3OC(CO)C(O)C(O)C3O)OC(OC3C(O)OC(C(=N)O)C(C)(O)C3OC(=N)O)C(N=C(C)O)C2O)OC(CO)C(OC2OC(C(=N)O)C(O)C(O)C2O)C1O

Other Identifiers

• CNP0080867

AD10969

Formula: C28H47O7P

Smiles:

C=C(CC=C(C)CCC=C(C)C)CCC(C)(C)C=CCCC(C)=CCOC(COP(=O)(O)O)C(=O)O

HBA:	7	RingCount:	0
HBD:	3	FractionCSP3:	0.61
AlogP:	7.29	Num_rotatable_bonds:	19
MolWt:	526.65	Num_heavy_atoms:	36
TPSA:	113.29	NumAromaticRings:	0