GD122739

Name:

Moenomycin

Formula:

C68H105O37N4P

Smiles:

C=C(CC=C(C)CCC=C(C)C)CCC(C)(C)C=CCCC(C)=CCOC(COP(=O)(O)OC1OC(C(=O)O)C(C)(O)C(OC(=N)O)C1OC1OC(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(C)C(OC3OC(C(O)=NC4=C(O)CCC4=O)C(O)C(O)C3O)C(O)C2NCC(=O)O)C(O)C1NCC(=O)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.NCC(=O)O.NCC(=O)O.O=C1CCC(O)=C1N=CO

Sugarmoiety:

CC1OC(OC2C(OC3OC(CO)C(O)C(O)C3O)OC(OC3C(O)OC(C(=O)O)C(C)(O)C3OC(=N)O)C(O)C2O)C(O)C(O)C1OC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0080884

AD07773

Formula: C2H5O2N

Smiles:

NCC(=O)O

HBA:	3	RingCount:	0
HBD:	3	FractionCSP3:	0.5
AlogP:	-0.97	Num_rotatable_bonds:	1
MolWt:	75.07	Num_heavy_atoms:	5
TPSA:	63.32	NumAromaticRings:	0

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

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