GD010221

Name:

None

Formula:

C100H144O36N16

Smiles:

CC(C)(C)c1cc2c(Oc3cn(CC(=O)NCCOCCO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)nn3)c(c1)Cc1cc(C(C)(C)C)cc(c1Oc1cn(CC(=O)NCCOCCO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn1)Cc1cc(C(C)(C)C)cc(c1Oc1cn(CC(=O)NCCOCCO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn1)Cc1cc(C(C)(C)C)cc(c1Oc1cn(CC(=O)NCCOCCO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn1)C2

Aglycone:

CC(C)(C)c1cc2c(Oc3cn(CC(=O)NCCOCCO)nn3)c(c1)Cc1cc(C(C)(C)C)cc(c1Oc1cn(CC(=O)NCCOCCO)nn1)Cc1cc(C(C)(C)C)cc(c1Oc1cn(CC(=O)NCCOCCO)nn1)Cc1cc(C(C)(C)C)cc(c1Oc1cn(CC(=O)NCCOCCO)nn1)C2

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL3590174

AD07933

Formula: C76H104O16N16

Smiles:

CC(C)(C)c1cc2c(Oc3cn(CC(=O)NCCOCCO)nn3)c(c1)Cc1cc(C(C)(C)C)cc(c1Oc1cn(CC(=O)NCCOCCO)nn1)Cc1cc(C(C)(C)C)cc(c1Oc1cn(CC(=O)NCCOCCO)nn1)Cc1cc(C(C)(C)C)cc(c1Oc1cn(CC(=O)NCCOCCO)nn1)C2

HBA:	32	RingCount:	9
HBD:	8	FractionCSP3:	0.53
AlogP:	5.59	Num_rotatable_bonds:	36
MolWt:	1497.76	Num_heavy_atoms:	108
TPSA:	394.0	NumAromaticRings:	8