GD147190

Name:

Coumermycin A2

Formula:

C53H55O20N5

Smiles:

COC1C(OC(=O)c2ccc[nH]2)C(O)C(Oc2ccc3c(O)c(N=C(O)c4c[nH]c(C(O)=Nc5c(O)c6ccc(OC7OC(C)(C)C(OC)C(OC(=O)c8ccc[nH]8)C7O)c(C)c6oc5=O)c4C)c(=O)oc3c2C)OC1(C)C

Aglycone:

Cc1c(C(O)=Nc2c(O)c3ccc(O)c(C)c3oc2=O)c[nH]c1C(O)=Nc1c(O)c2ccc(O)c(C)c2oc1=O.O=C(O)c1ccc[nH]1.O=C(O)c1ccc[nH]1

Sugarmoiety:

COC1C(O)C(O)C(O)OC1(C)C.COC1C(O)C(O)C(O)OC1(C)C

Other Identifiers

• CNP0318635

AD22158

Formula: C5H5O2N

Smiles:

O=C(O)c1ccc[nH]1

HBA:	3	RingCount:	1
HBD:	2	FractionCSP3:	0.0
AlogP:	0.71	Num_rotatable_bonds:	1
MolWt:	111.1	Num_heavy_atoms:	8
TPSA:	53.09	NumAromaticRings:	1

AD58960

Formula: C27H21O10N3

Smiles:

Cc1c(C(O)=Nc2c(O)c3ccc(O)c(C)c3oc2=O)c[nH]c1C(O)=Nc1c(O)c2ccc(O)c(C)c2oc1=O

HBA:	13	RingCount:	5
HBD:	7	FractionCSP3:	0.11
AlogP:	4.25	Num_rotatable_bonds:	4
MolWt:	547.48	Num_heavy_atoms:	40
TPSA:	222.31	NumAromaticRings:	5