GD152509

Name:

moenomycin

Formula:

C70H110O33N5P

Smiles:

C=C(CC=C(C)CCC=C(C)C)CCC(C)(C)C=CCCC(C)=CCOC(COP(=O)(O)OC1CC(C(=N)O)C(C)(O)C(OC(=N)O)C1OC1OC(COC2OC(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)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)OC1CC(C(=N)O)C(C)(O)C(OC(=N)O)C1O)C(=O)O.O=C1CCC(O)=C1N=CO

Sugarmoiety:

CC(O)=NC1C(O)OC(COC2OC(CO)C(O)C(O)C2O)C(OC2OC(C)C(OC3OC(O)C(O)C(O)C3O)C(O)C2N=C(C)O)C1O

Other Identifiers

• CNP0473232

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

AD60720

Formula: C37H61O12N2P

Smiles:

C=C(CC=C(C)CCC=C(C)C)CCC(C)(C)C=CCCC(C)=CCOC(COP(=O)(O)OC1CC(C(=N)O)C(C)(O)C(OC(=N)O)C1O)C(=O)O

HBA:	14	RingCount:	1
HBD:	8	FractionCSP3:	0.65
AlogP:	7.23	Num_rotatable_bonds:	23
MolWt:	756.87	Num_heavy_atoms:	52
TPSA:	240.14	NumAromaticRings:	0