GD028329

Name:

None

Formula:

C71H82O19N6

Smiles:

O=C(Cc1ccccc1)NC[C@@H]1O[C@H](O[C@@H]2[C@H](CO)O[C@H](O[C@H]3[C@H](O[C@@H]4O[C@H](CNC(=O)Cc5ccccc5)[C@H](O)[C@H](O)[C@H]4NC(=O)Cc4ccccc4)[C@@H](NC(=O)Cc4ccccc4)C[C@@H](NC(=O)Cc4ccccc4)[C@H]3O)[C@H]2O)[C@H](NC(=O)Cc2ccccc2)[C@H](O)[C@H]1O

Aglycone:

CNC(=O)Cc1ccccc1.CNC(=O)Cc1ccccc1.NC(=O)Cc1ccccc1.NC(=O)Cc1ccccc1.O=C(Cc1ccccc1)NC1CC(NC(=O)Cc2ccccc2)C(O)C(O)C1O

Sugarmoiety:

OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C1OC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL2385494

AD00691

Formula: C8H9ON

Smiles:

NC(=O)Cc1ccccc1

HBA:	2	RingCount:	1
HBD:	2	FractionCSP3:	0.12
AlogP:	0.71	Num_rotatable_bonds:	2
MolWt:	135.17	Num_heavy_atoms:	10
TPSA:	43.09	NumAromaticRings:	1

AD05850

Formula: C9H11ON

Smiles:

CNC(=O)Cc1ccccc1

HBA:	2	RingCount:	1
HBD:	1	FractionCSP3:	0.22
AlogP:	0.98	Num_rotatable_bonds:	2
MolWt:	149.19	Num_heavy_atoms:	11
TPSA:	29.1	NumAromaticRings:	1

AD14784

Formula: C22H26O5N2

Smiles:

O=C(Cc1ccccc1)NC1CC(NC(=O)Cc2ccccc2)C(O)C(O)C1O

HBA:	7	RingCount:	3
HBD:	5	FractionCSP3:	0.36
AlogP:	-0.07	Num_rotatable_bonds:	6
MolWt:	398.46	Num_heavy_atoms:	29
TPSA:	118.89	NumAromaticRings:	2