GD039599

Name:

moenomycin

Formula:

C69H106O34N5P

Smiles:

C=C(CC=C(C)CCC=C(C)C)CCC(C)(C)C=CCCC(C)=CCO[C@H](CO[P@@](=O)(O)O[C@@H]1O[C@H](C(N)=O)[C@@](C)(O)[C@H](OC(N)=O)[C@H]1O[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@@H](O[C@H]2O[C@H](C)[C@@H](O[C@H]3O[C@H](C(=O)NC4=C(O)C=CC4=O)[C@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2NC(C)=O)[C@H](O)[C@@H]1NC(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.O=CNC1=C(O)C=CC1=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(NC(C)=O)C2O)OC(C)C(OC2OC(O)C(O)C(O)C2O)C1O

Other Identifiers

• M0E

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

AD24470

Formula: C6H5O3N

Smiles:

O=CNC1=C(O)C=CC1=O

HBA:	4	RingCount:	1
HBD:	2	FractionCSP3:	0.0
AlogP:	-0.36	Num_rotatable_bonds:	2
MolWt:	139.11	Num_heavy_atoms:	10
TPSA:	66.4	NumAromaticRings:	0