GD028957

Name:

None

Formula:

C35H50O12N6

Smiles:

CCCCCCCOc1ccc(NC(=O)C2=CCN(C)[C@H]([C@H](O[C@@H]3O[C@H](CN)[C@H](O)[C@H]3O)[C@@H]3O[C@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@H]3O)C(=O)N2C)cc1

Aglycone:

CCCCCCCOc1ccc(NC(=O)C2=CCN(C)C(CO)C(=O)N2C)cc1.O=c1cc[nH]c(=O)[nH]1

Sugarmoiety:

NCC1OC(OOC2OC(O)C(O)C2O)C(O)C1O

Other Identifiers

• CHEMBL4435802

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

AD18876

Formula: C22H33O4N3

Smiles:

CCCCCCCOc1ccc(NC(=O)C2=CCN(C)C(CO)C(=O)N2C)cc1

HBA:	7	RingCount:	2
HBD:	2	FractionCSP3:	0.55
AlogP:	2.62	Num_rotatable_bonds:	10
MolWt:	403.52	Num_heavy_atoms:	29
TPSA:	82.11	NumAromaticRings:	1