GD033180

Name:

None

Formula:

C51H83O22N5

Smiles:

CCCCCCCCCCC[C@H](CC(=O)O[C@@H]1CN(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)N(C)[C@H]1C(=O)O)OC(=O)C[C@H](C)CC(=O)O[C@@H]1O[C@H](C)[C@H](OC)[C@H](OC)[C@H]1OC

Aglycone:

CCCCCCCCCCCC(CC(=O)OC1CN(C)C(CO)C(=O)N(C)C1C(=O)O)OC(=O)CC(C)CC(=O)O.O=c1cc[nH]c(=O)[nH]1

Sugarmoiety:

COC1C(C)OC(O)C(OC)C1OC.NCC1OC(OOC2OC(O)C(O)C2O)C(O)C1O

Other Identifiers

• CHEMBL4542208

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

AD21200

Formula: C29H50O10N2

Smiles:

CCCCCCCCCCCC(CC(=O)OC1CN(C)C(CO)C(=O)N(C)C1C(=O)O)OC(=O)CC(C)CC(=O)O

HBA:	12	RingCount:	1
HBD:	3	FractionCSP3:	0.83
AlogP:	2.84	Num_rotatable_bonds:	20
MolWt:	586.72	Num_heavy_atoms:	41
TPSA:	170.98	NumAromaticRings:	0