GD115831

Name:

Moenomycin H

Formula:

C43H66O34N5P

Smiles:

CC(O)=NC1C(OC2C(COC3OC(CO)C(O)C(O)C3O)OC(OC3C(OP(=O)(O)OCC(O)C(=O)O)OC(C(=N)O)C(O)C3OC(=N)O)C(N=C(C)O)C2O)OC(C)C(OC2OC(C(O)=NC3=C(O)CCC3=O)C(O)C(O)C2O)C1O

Aglycone:

O=C(O)C(O)COP(=O)(O)O.O=C1CCC(O)=C1N=CO

Sugarmoiety:

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

Other Identifiers

• CNP0351220

AD24764

Formula: C3H7O7P

Smiles:

O=C(O)C(O)COP(=O)(O)O

HBA:	7	RingCount:	0
HBD:	4	FractionCSP3:	0.67
AlogP:	-1.46	Num_rotatable_bonds:	4
MolWt:	186.06	Num_heavy_atoms:	11
TPSA:	124.29	NumAromaticRings:	0

AD45895

Formula: C6H7O3N

Smiles:

O=C1CCC(O)=C1N=CO

HBA:	4	RingCount:	1
HBD:	2	FractionCSP3:	0.33
AlogP:	0.71	Num_rotatable_bonds:	1
MolWt:	141.13	Num_heavy_atoms:	10
TPSA:	69.89	NumAromaticRings:	0