GD011116

Name:

None

Formula:

C35H57O12N5

Smiles:

CCCCCCCCCCCCCOC(=O)C1=CCN(C)[C@H]([C@H](O[C@@H]2O[C@H](CN)[C@H](O)[C@H]2O)[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)C(=O)N1C

Aglycone:

CCCCCCCCCCCCCOC(=O)C1=CCN(C)C(CO)C(=O)N1C.O=c1cc[nH]c(=O)[nH]1

Sugarmoiety:

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

Other Identifiers

• CHEMBL4574396

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

AD08522

Formula: C22H40O4N2

Smiles:

CCCCCCCCCCCCCOC(=O)C1=CCN(C)C(CO)C(=O)N1C

HBA:	6	RingCount:	1
HBD:	1	FractionCSP3:	0.82
AlogP:	3.49	Num_rotatable_bonds:	14
MolWt:	396.57	Num_heavy_atoms:	28
TPSA:	70.08	NumAromaticRings:	0