GD032418

Name:

None

Formula:

C85H132O40N24

Smiles:

CC1(C)O[C@@H]2[C@H](O1)[C@H](OCc1cn(CC(Cn3cc(CO[C@H]4O[C@@H](Cn5cc(COC[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)nn5)[C@H]5OC(C)(C)O[C@H]45)nn3)(Cn3cc(CO[C@@H]4O[C@H](Cn5cc(COC[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)nn5)[C@@H]5OC(C)(C)O[C@@H]54)nn3)Cn3cc(CO[C@@H]4O[C@H](Cn5cc(COC[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)nn5)[C@@H]5OC(C)(C)O[C@@H]54)nn3)nn1)O[C@@H]2Cn1cc(COC[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)nn1

Aglycone:

Cc1cn(CC2OC(OCc3cn(CC(Cn4cc(COC5OC(Cn6cc(C)nn6)C6OC(C)(C)OC56)nn4)(Cn4cc(COC5OC(Cn6cc(C)nn6)C6OC(C)(C)OC56)nn4)Cn4cc(COC5OC(Cn6cc(C)nn6)C6OC(C)(C)OC56)nn4)nn3)C3OC(C)(C)OC23)nn1

Sugarmoiety:

OCC(O)C(O)C(O)C(O)COO.OCC(O)C(O)C(O)C(O)COO.OCC(O)C(O)C(O)C(O)COO.OCC(O)C(O)C(O)C(O)COO

Other Identifiers

• CHEMBL4457216

AD20795

Formula: C61H84O16N24

Smiles:

Cc1cn(CC2OC(OCc3cn(CC(Cn4cc(COC5OC(Cn6cc(C)nn6)C6OC(C)(C)OC56)nn4)(Cn4cc(COC5OC(Cn6cc(C)nn6)C6OC(C)(C)OC56)nn4)Cn4cc(COC5OC(Cn6cc(C)nn6)C6OC(C)(C)OC56)nn4)nn3)C3OC(C)(C)OC23)nn1

HBA:	40	RingCount:	16
HBD:	0	FractionCSP3:	0.74
AlogP:	0.59	Num_rotatable_bonds:	28
MolWt:	1409.49	Num_heavy_atoms:	101
TPSA:	393.36	NumAromaticRings:	8