GD001345

Name:

None

Formula:

C33H40O15N6

Smiles:

CO[C@H]1[C@H](OC(=O)C(C)c2ccc([N+](=O)[O-])cc2)[C@@H](n2ccc(=O)[nH]c2=O)O[C@H]1[C@H](O[C@@H]1OC(C(=O)N[C@@H]2CCC[C@H](C)NC2=O)=C[C@H](O)[C@H]1O)C(N)=O

Aglycone:

CC(C(=O)O)c1ccc([N+](=O)[O-])cc1.CC1CCCC(NC(=O)C2=CC(O)C(O)C(OCC(N)=O)O2)C(=O)N1.O=c1cc[nH]c(=O)[nH]1

Sugarmoiety:

COC1C(O)OC(O)C1O

Other Identifiers

• CHEMBL329059

AD00106

Formula: C4H4O2N2

Smiles:

O=c1cc[nH]c(=O)[nH]1

HBA:	4	RingCount:	1
HBD:	2	FractionCSP3:	0.0
AlogP:	-0.94	Num_rotatable_bonds:	0
MolWt:	112.09	Num_heavy_atoms:	8
TPSA:	65.72	NumAromaticRings:	1

AD01318

Formula: C15H23O7N3

Smiles:

CC1CCCC(NC(=O)C2=CC(O)C(O)C(OCC(N)=O)O2)C(=O)N1

HBA:	10	RingCount:	2
HBD:	6	FractionCSP3:	0.67
AlogP:	-2.38	Num_rotatable_bonds:	5
MolWt:	357.36	Num_heavy_atoms:	25
TPSA:	160.21	NumAromaticRings:	0

AD01372

Formula: C9H9O4N

Smiles:

CC(C(=O)O)c1ccc([N+](=O)[O-])cc1

HBA:	5	RingCount:	1
HBD:	1	FractionCSP3:	0.22
AlogP:	1.78	Num_rotatable_bonds:	3
MolWt:	195.17	Num_heavy_atoms:	14
TPSA:	80.44	NumAromaticRings:	1