GD001598

Name:

None

Formula:

C47H77O27N9

Smiles:

CC[C@H](C)[C@H](NC(O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](CC(=O)NCC(=O)NC1OC(CO)C(OC(=O)CN(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C(O)C1O)C(=O)N[C@H](C)C(=O)N[C@H](CO)C(N)=O

Aglycone:

CCC(C)C(NC(O)C(N)Cc1ccc(O)cc1)C(=O)NC(CC(=O)NCC(N)=O)C(=O)NC(C)C(=O)NC(CO)C(N)=O.O=C(O)CN(O)O

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL411996

AD01586

Formula: C27H44O9N8

Smiles:

CCC(C)C(NC(O)C(N)Cc1ccc(O)cc1)C(=O)NC(CC(=O)NCC(N)=O)C(=O)NC(C)C(=O)NC(CO)C(N)=O

HBA:	17	RingCount:	1
HBD:	14	FractionCSP3:	0.56
AlogP:	-4.47	Num_rotatable_bonds:	19
MolWt:	624.7	Num_heavy_atoms:	44
TPSA:	301.32	NumAromaticRings:	1

AD01587

Formula: C2H5O4N

Smiles:

O=C(O)CN(O)O

HBA:	5	RingCount:	0
HBD:	3	FractionCSP3:	0.5
AlogP:	-0.85	Num_rotatable_bonds:	2
MolWt:	107.06	Num_heavy_atoms:	7
TPSA:	81.0	NumAromaticRings:	0