GD002789

Name:

None

Formula:

C50H74O28N4

Smiles:

O=C(COCC(=O)NCCCO[C@@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NCC#Cc1cccc(C#CCNC(=O)COCC(=O)NCCCO[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c1

Aglycone:

O=C(COCC(=O)NCCCO)NCC#Cc1cccc(C#CCNC(=O)COCC(=O)NCCCO)c1

Sugarmoiety:

OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL435150

AD02620

Formula: C26H34O8N4

Smiles:

O=C(COCC(=O)NCCCO)NCC#Cc1cccc(C#CCNC(=O)COCC(=O)NCCCO)c1

HBA:	12	RingCount:	1
HBD:	6	FractionCSP3:	0.46
AlogP:	-2.35	Num_rotatable_bonds:	16
MolWt:	530.58	Num_heavy_atoms:	38
TPSA:	175.32	NumAromaticRings:	1