GD007142

Name:

None

Formula:

C28H37O12N5

Smiles:

O=C1CCN([C@@H]2O[C@H](CNC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)C[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)C(=O)N1

Aglycone:

CNC(=O)C(Cc1c[nH]c2ccccc12)NC(C)=O.O=C1CCNC(=O)N1

Sugarmoiety:

OC1OC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL1644894

AD01822

Formula: C4H6O2N2

Smiles:

O=C1CCNC(=O)N1

HBA:	4	RingCount:	1
HBD:	2	FractionCSP3:	0.5
AlogP:	-0.78	Num_rotatable_bonds:	0
MolWt:	114.1	Num_heavy_atoms:	8
TPSA:	58.2	NumAromaticRings:	0

AD05837

Formula: C14H17O2N3

Smiles:

CNC(=O)C(Cc1c[nH]c2ccccc12)NC(C)=O

HBA:	5	RingCount:	2
HBD:	3	FractionCSP3:	0.29
AlogP:	0.96	Num_rotatable_bonds:	4
MolWt:	259.31	Num_heavy_atoms:	19
TPSA:	73.99	NumAromaticRings:	2